CID 131779645

Mg(0:0/i-20:0/0:0)

Structural Information

Molecular Formula
C23H46O4
SMILES
CC(C)CCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C23H46O4/c1-21(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-23(26)27-22(19-24)20-25/h21-22,24-25H,3-20H2,1-2H3
InChIKey
DTNBVZXPKGNLQF-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 18-methylnonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.3396 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.34688 208.8
[M+Na]+ 409.32882 207.6
[M-H]- 385.33232 203.1
[M+NH4]+ 404.37342 208.5
[M+K]+ 425.30276 204.0
[M+H-H2O]+ 369.33686 201.2
[M+HCOO]- 431.33780 213.8
[M+CH3COO]- 445.35345 221.3
[M+Na-2H]- 407.31427 202.1
[M]+ 386.33905 215.7
[M]- 386.34015 215.7
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

No patent data available for this compound.