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

127
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 122.6
[M+Na]+ 142.04746 131.0
[M+NH4]+ 137.09206 129.3
[M+K]+ 158.02140 127.5
[M-H]- 118.05096 120.9
[M+Na-2H]- 140.03291 125.4
[M]+ 119.05769 122.8
[M]- 119.05879 122.8
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