CID 171118860

29-methyl-30-triacontanolactone

Structural Information

Molecular Formula
C31H60O2
SMILES
CC1CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1
InChI
InChI=1S/C31H60O2/c1-30-27-25-23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-26-28-31(32)33-29-30/h30H,2-29H2,1H3
InChIKey
LHFWLHKDFKSZAM-UHFFFAOYSA-N
Compound name
30-methyl-oxacyclohentriacontan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.45932 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.46660 215.9
[M+Na]+ 487.44854 206.4
[M-H]- 463.45204 217.0
[M+NH4]+ 482.49314 216.7
[M+K]+ 503.42248 204.7
[M+H-H2O]+ 447.45658 211.5
[M+HCOO]- 509.45752 216.9
[M+CH3COO]- 523.47317 215.9
[M+Na-2H]- 485.43399 205.3
[M]+ 464.45877 191.0
[M]- 464.45987 191.0
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.