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

6368
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

literature stripe

Patent stripe

patents stripe