CID 171118972

30-methyl-31-hentriacontalactone

Structural Information

Molecular Formula
C32H62O2
SMILES
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C32H62O2/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/h31H,2-30H2,1H3
InChIKey
LFHMVEJDMDQIEY-UHFFFAOYSA-N
Compound name
31-methyl-oxacyclodotriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.47498 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.48226 218.7
[M+Na]+ 501.46420 208.6
[M-H]- 477.46770 219.9
[M+NH4]+ 496.50880 218.9
[M+K]+ 517.43814 206.9
[M+H-H2O]+ 461.47224 214.3
[M+HCOO]- 523.47318 219.0
[M+CH3COO]- 537.48883 217.8
[M+Na-2H]- 499.44965 207.5
[M]+ 478.47443 193.1
[M]- 478.47553 193.1
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.