CID 11510

N-hydroxyurethane

Structural Information

Molecular Formula
C3H7NO3
SMILES
CCOC(=O)NO
InChI
InChI=1S/C3H7NO3/c1-2-7-3(5)4-6/h6H,2H2,1H3,(H,4,5)
InChIKey
VGEWEGHHYWGXGG-UHFFFAOYSA-N
Compound name
ethyl N-hydroxycarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

1660
Patents

105.042595 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.04987 118.2
[M+Na]+ 128.03181 126.8
[M+NH4]+ 123.07642 125.1
[M+K]+ 144.00575 123.6
[M-H]- 104.03532 116.6
[M+Na-2H]- 126.01726 121.2
[M]+ 105.04205 118.5
[M]- 105.04314 118.5
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