CID 317842

Glyceryl montanate

Structural Information

Molecular Formula
C31H62O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C31H62O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-31(34)35-29-30(33)28-32/h30,32-33H,2-29H2,1H3
InChIKey
BQMPZRKQANYIQU-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl octacosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3874
Patents

498.4648 Da
Monoisotopic Mass

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.472076 239.1
[M+Na]+ 521.454018 242.8
[M-H]- 497.457524 223.3
[M+NH4]+ 516.498623 236.1
[M+K]+ 537.427958 242.4
[M+H-H2O]+ 481.462060 237.7
[M+HCOO]- 543.463001 242.5
[M+CH3COO]- 557.478651 243.5
[M+Na-2H]- 519.439466 223.2
[M]+ 498.46425142 237.5
[M]- 498.46534858 237.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe