CID 119851

Einecs 249-369-1

Structural Information

Molecular Formula
C19H38O3
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(C)O
InChI
InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)22-17-18(2)20/h18,20H,3-17H2,1-2H3
InChIKey
FAQKRSYDADCZGK-UHFFFAOYSA-N
Compound name
2-hydroxypropyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

758
Patents

314.2821 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.28938 187.6
[M+Na]+ 337.27132 188.9
[M-H]- 313.27482 184.2
[M+NH4]+ 332.31592 201.6
[M+K]+ 353.24526 186.1
[M+H-H2O]+ 297.27936 180.8
[M+HCOO]- 359.28030 204.5
[M+CH3COO]- 373.29595 209.5
[M+Na-2H]- 335.25677 184.7
[M]+ 314.28155 194.2
[M]- 314.28265 194.2
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