CID 171118975

31-methyl-32-dotriacontalactone

Structural Information

Molecular Formula
C33H64O2
SMILES
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C33H64O2/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/h32H,2-31H2,1H3
InChIKey
BZXJIOXRIPQEPT-UHFFFAOYSA-N
Compound name
32-methyl-oxacyclotritriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.49063 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.49791 221.5
[M+Na]+ 515.47985 210.7
[M-H]- 491.48335 222.6
[M+NH4]+ 510.52445 220.9
[M+K]+ 531.45379 209.0
[M+H-H2O]+ 475.48789 217.1
[M+HCOO]- 537.48883 221.0
[M+CH3COO]- 551.50448 220.1
[M+Na-2H]- 513.46530 209.7
[M]+ 492.49008 195.0
[M]- 492.49118 195.0
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.