CID 21492

2-hydroxyethyl carbamate

Structural Information

Molecular Formula
C3H7NO3
SMILES
C(COC(=O)N)O
InChI
InChI=1S/C3H7NO3/c4-3(6)7-2-1-5/h5H,1-2H2,(H2,4,6)
InChIKey
BTDQXGUEVVTAMD-UHFFFAOYSA-N
Compound name
2-hydroxyethyl carbamate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

2223
Patents

105.042595 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.049871 118.1
[M+Na]+ 128.031813 125.3
[M-H]- 104.035319 116.9
[M+NH4]+ 123.076418 139.8
[M+K]+ 144.005753 125.7
[M+H-H2O]+ 88.039855 113.6
[M+HCOO]- 150.040796 141.6
[M+CH3COO]- 164.056446 164.8
[M+Na-2H]- 126.017261 124.0
[M]+ 105.04204642 117.3
[M]- 105.04314358 117.3
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