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

literature stripe

Patent stripe

patents stripe