CID 171118982

32-methyl-25z-tritriaconten-33-olactone

Structural Information

Molecular Formula
C34H64O2
SMILES
CC1CCCCC/C=C\CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C34H64O2/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/h18,20,33H,2-17,19,21-32H2,1H3/b20-18-
InChIKey
WXGUHDFCAMSOBB-ZZEZOPTASA-N
Compound name
(26Z)-33-methyl-1-oxacyclotetratriacont-26-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.49063 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.49791 222.7
[M+Na]+ 527.47985 212.3
[M-H]- 503.48335 224.2
[M+NH4]+ 522.52445 221.5
[M+K]+ 543.45379 210.3
[M+H-H2O]+ 487.48789 218.2
[M+HCOO]- 549.48883 222.9
[M+CH3COO]- 563.50448 221.4
[M+Na-2H]- 525.46530 211.3
[M]+ 504.49008 196.8
[M]- 504.49118 196.8
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.