CID 131752393

Glycinoprenol 11

Structural Information

Molecular Formula
C55H96O
SMILES
CC(C)CCCC(C)CCCC(C)CCC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C\CO)/C)/C)/C)/C)/C)/C)/C)/C
InChI
InChI=1S/C55H96O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h29,31,33,35,37,39,41,43,45-47,56H,13-28,30,32,34,36,38,40,42,44H2,1-12H3/b48-29+,49-31-,50-33-,51-35-,52-37+,53-39+,54-41+,55-43-
InChIKey
UXICBYIGXYAKQO-DGDFVRFVSA-N
Compound name
(2Z,6E,10E,14E,18Z,22Z,26Z,30E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

772.7461 Da
Monoisotopic Mass

21.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.75338 301.5
[M+Na]+ 795.73532 304.1
[M+NH4]+ 790.77992 306.0
[M+K]+ 811.70926 305.8
[M-H]- 771.73882 293.1
[M+Na-2H]- 793.72077 299.4
[M]+ 772.74555 300.3
[M]- 772.74665 300.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.