CID 22497764

Glyceryl 2-monopropionate

Structural Information

Molecular Formula
C6H12O4
SMILES
CCC(=O)OC(CO)CO
InChI
InChI=1S/C6H12O4/c1-2-6(9)10-5(3-7)4-8/h5,7-8H,2-4H2,1H3
InChIKey
LWPXNRRTVSAZCU-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

148.07356 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.080836 131.3
[M+Na]+ 171.062778 137.5
[M-H]- 147.066284 128.8
[M+NH4]+ 166.107383 151.2
[M+K]+ 187.036718 137.6
[M+H-H2O]+ 131.070820 126.9
[M+HCOO]- 193.071761 151.2
[M+CH3COO]- 207.087411 170.0
[M+Na-2H]- 169.048226 134.8
[M]+ 148.07301142 132.5
[M]- 148.07410858 132.5
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.