CID 155780

73231-04-6

Structural Information

Molecular Formula
C21H40O4
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C(=O)O
InChI
InChI=1S/C21H40O4/c1-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-20(22)25-19(3)21(23)24/h18-19H,4-17H2,1-3H3,(H,23,24)
InChIKey
DYLRTDOADWSXOU-UHFFFAOYSA-N
Compound name
2-(16-methylheptadecanoyloxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.29266 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.29994 194.5
[M+Na]+ 379.28188 199.2
[M+NH4]+ 374.32648 207.1
[M+K]+ 395.25582 194.3
[M-H]- 355.28538 190.4
[M+Na-2H]- 377.26733 191.6
[M]+ 356.29211 193.4
[M]- 356.29321 193.4
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.