CID 69404

2-hydroxyethyl formate

Structural Information

Molecular Formula
C3H6O3
SMILES
C(COC=O)O
InChI
InChI=1S/C3H6O3/c4-1-2-6-3-5/h3-4H,1-2H2
InChIKey
UKQJDWBNQNAJHB-UHFFFAOYSA-N
Compound name
2-hydroxyethyl formate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

5919
Patents

90.03169 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.038966 112.8
[M+Na]+ 113.02091 121.1
[M-H]- 89.024414 112.2
[M+NH4]+ 108.06551 135.8
[M+K]+ 128.99485 121.6
[M+H-H2O]+ 73.028950 108.9
[M+HCOO]- 135.02989 137.0
[M+CH3COO]- 149.04554 160.4
[M+Na-2H]- 111.00636 121.1
[M]+ 90.031141 114.7
[M]- 90.032239 114.7
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.