CID 44256513

Lmfa05000084

Structural Information

Molecular Formula
C40H82O2
SMILES
C[C@H](CCC[C@@H](C)CCC[C@@H](C)CCO)CCC[C@H](C)CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO
InChI
InChI=1S/C40H82O2/c1-33(15-9-17-35(3)21-13-25-39(7)29-31-41)19-11-23-37(5)27-28-38(6)24-12-20-34(2)16-10-18-36(4)22-14-26-40(8)30-32-42/h33-42H,9-32H2,1-8H3/t33-,34-,35-,36-,37+,38+,39-,40-/m1/s1
InChIKey
YIAFMQBFTHBWLC-ZTVUVNAISA-N
Compound name
(3R,7R,11R,15S,18S,22R,26R,30R)-3,7,11,15,18,22,26,30-octamethyldotriacontane-1,32-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.6315 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.63878 261.1
[M+Na]+ 617.62072 266.8
[M-H]- 593.62422 249.3
[M+NH4]+ 612.66532 265.8
[M+K]+ 633.59466 274.0
[M+H-H2O]+ 577.62876 262.0
[M+HCOO]- 639.62970 246.3
[M+CH3COO]- 653.64535 270.7
[M+Na-2H]- 615.60617 246.1
[M]+ 594.63095 260.0
[M]- 594.63205 260.0
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.