CID 109682

2-hydroxypropyl 16-methylheptadecanoate

Structural Information

Molecular Formula
C21H42O3
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)OCC(C)O
InChI
InChI=1S/C21H42O3/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(23)24-18-20(3)22/h19-20,22H,4-18H2,1-3H3
InChIKey
BJRXGOFKVBOFCO-UHFFFAOYSA-N
Compound name
2-hydroxypropyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5337
Patents

342.3134 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.32068 193.1
[M+Na]+ 365.30262 198.7
[M+NH4]+ 360.34722 197.3
[M+K]+ 381.27656 192.4
[M-H]- 341.30612 190.1
[M+Na-2H]- 363.28807 191.2
[M]+ 342.31285 192.6
[M]- 342.31395 192.6
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

patents stripe