CID 17756737

Glyceryl 2-formate

Structural Information

Molecular Formula
C4H8O4
SMILES
C(C(CO)OC=O)O
InChI
InChI=1S/C4H8O4/c5-1-4(2-6)8-3-7/h3-6H,1-2H2
InChIKey
LDVVTQMJQSCDMK-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1041
References

20907
Patents

120.04226 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04954 121.4
[M+Na]+ 143.03148 128.6
[M-H]- 119.03498 119.2
[M+NH4]+ 138.07608 142.4
[M+K]+ 159.00542 128.7
[M+H-H2O]+ 103.03952 117.3
[M+HCOO]- 165.04046 143.0
[M+CH3COO]- 179.05611 163.7
[M+Na-2H]- 141.01693 127.3
[M]+ 120.04171 122.6
[M]- 120.04281 122.6
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