CID 131779639

Mg(0:0/i-17:0/0:0)

Structural Information

Molecular Formula
C20H40O4
SMILES
CC(C)CCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C20H40O4/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20(23)24-19(16-21)17-22/h18-19,21-22H,3-17H2,1-2H3
InChIKey
MIDSCAWCKLVDBQ-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.29266 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 195.5
[M+Na]+ 367.28188 195.6
[M-H]- 343.28538 190.4
[M+NH4]+ 362.32648 207.4
[M+K]+ 383.25582 192.8
[M+H-H2O]+ 327.28992 188.5
[M+HCOO]- 389.29086 209.8
[M+CH3COO]- 403.30651 212.6
[M+Na-2H]- 365.26733 190.3
[M]+ 344.29211 201.3
[M]- 344.29321 201.3
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.