CID 171118973

31-methyl-22z-dotriaconten-32-olactone

Structural Information

Molecular Formula
C33H62O2
SMILES
CC1CCCCCCC/C=C\CCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C33H62O2/c1-32-29-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-33(34)35-31-32/h13,15,32H,2-12,14,16-31H2,1H3/b15-13-
InChIKey
YANIUOCHWKZHLX-SQFISAMPSA-N
Compound name
(23Z)-32-methyl-1-oxacyclotritriacont-23-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.47498 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.48226 220.0
[M+Na]+ 513.46420 210.2
[M-H]- 489.46770 221.6
[M+NH4]+ 508.50880 219.6
[M+K]+ 529.43814 208.3
[M+H-H2O]+ 473.47224 215.6
[M+HCOO]- 535.47318 221.0
[M+CH3COO]- 549.48883 219.2
[M+Na-2H]- 511.44965 209.2
[M]+ 490.47443 194.9
[M]- 490.47553 194.9
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.