CID 21123

5027-16-7

Structural Information

Molecular Formula
C4H9NO3
SMILES
CCOC(=O)NCO
InChI
InChI=1S/C4H9NO3/c1-2-8-4(7)5-3-6/h6H,2-3H2,1H3,(H,5,7)
InChIKey
LTXYFELJDAARCU-UHFFFAOYSA-N
Compound name
ethyl N-(hydroxymethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

119.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 122.5
[M+Na]+ 142.04746 129.4
[M-H]- 118.05096 121.7
[M+NH4]+ 137.09206 144.0
[M+K]+ 158.02140 129.9
[M+H-H2O]+ 102.05550 117.9
[M+HCOO]- 164.05644 146.4
[M+CH3COO]- 178.07209 167.8
[M+Na-2H]- 140.03291 129.0
[M]+ 119.05769 123.1
[M]- 119.05879 123.1
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