CID 5366014

97232-74-1

Structural Information

Molecular Formula
C30H50O
SMILES
CC(=CCC/C(=C/CC/C(=C/CC/C=C(\C)/CC/C=C(\C)/CCC(C(=C)C)O)/C)/C)C
InChI
InChI=1S/C30H50O/c1-24(2)14-11-17-28(7)20-12-18-26(5)15-9-10-16-27(6)19-13-21-29(8)22-23-30(31)25(3)4/h14-16,20-21,30-31H,3,9-13,17-19,22-23H2,1-2,4-8H3/b26-15+,27-16+,28-20+,29-21+
InChIKey
JLUBMMAQMKVTGL-RLROCYJYSA-N
Compound name
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-1,6,10,14,18,22-hexaen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.38617 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.393446 221.1
[M+Na]+ 449.375388 219.0
[M-H]- 425.378894 207.9
[M+NH4]+ 444.419993 220.0
[M+K]+ 465.349328 211.9
[M+H-H2O]+ 409.383430 214.4
[M+HCOO]- 471.384371 211.2
[M+CH3COO]- 485.400021 235.3
[M+Na-2H]- 447.360836 206.9
[M]+ 426.38562142 212.8
[M]- 426.38671858 212.8
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.