CID 171118971

30-methyl-23z-hentriaconten-31-olactone

Structural Information

Molecular Formula
C32H60O2
SMILES
CC1CCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C32H60O2/c1-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(33)34-30-31/h16,18,31H,2-15,17,19-30H2,1H3/b18-16-
InChIKey
XLAFYGINBNVJSS-VLGSPTGOSA-N
Compound name
(24Z)-31-methyl-1-oxacyclodotriacont-24-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.45932 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.46660 217.2
[M+Na]+ 499.44854 208.0
[M-H]- 475.45204 218.8
[M+NH4]+ 494.49314 217.5
[M+K]+ 515.42248 206.2
[M+H-H2O]+ 459.45658 212.8
[M+HCOO]- 521.45752 218.9
[M+CH3COO]- 535.47317 216.9
[M+Na-2H]- 497.43399 207.0
[M]+ 476.45877 192.9
[M]- 476.45987 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.