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

2851
Patents

105.042595 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 106.049871 117.8
[M+Na]+ 128.031813 125.2
[M-H]- 104.035319 117.3
[M+NH4]+ 123.076418 140.0
[M+K]+ 144.005753 126.0
[M+H-H2O]+ 88.039855 113.4
[M+HCOO]- 150.040796 142.1
[M+CH3COO]- 164.056446 164.7
[M+Na-2H]- 126.017261 124.9
[M]+ 105.04204642 118.1
[M]- 105.04314358 118.1
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