CID 171118976

32-methyl-11z,25z-tritriacontadien-33-olide

Structural Information

Molecular Formula
C34H62O2
SMILES
CC1CCCCC/C=C\CCCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC1
InChI
InChI=1S/C34H62O2/c1-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34(35)36-32-33/h11,13,18,20,33H,2-10,12,14-17,19,21-32H2,1H3/b13-11-,20-18-
InChIKey
DIONPLPHNCCDNT-PHRIZNSJSA-N
Compound name
(12Z,26Z)-33-methyl-1-oxacyclotetratriaconta-12,26-dien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.47498 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.48226 221.3
[M+Na]+ 525.46420 211.9
[M-H]- 501.46770 223.3
[M+NH4]+ 520.50880 220.3
[M+K]+ 541.43814 209.7
[M+H-H2O]+ 485.47224 216.8
[M+HCOO]- 547.47318 222.9
[M+CH3COO]- 561.48883 220.5
[M+Na-2H]- 523.44965 210.9
[M]+ 502.47443 196.7
[M]- 502.47553 196.7
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.