CID 7752

105-40-8

Structural Information

Molecular Formula
C4H9NO2
SMILES
CCOC(=O)NC
InChI
InChI=1S/C4H9NO2/c1-3-7-4(6)5-2/h3H2,1-2H3,(H,5,6)
InChIKey
SURZCVYFPAXNGN-UHFFFAOYSA-N
Compound name
ethyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

3711
Patents

103.06333 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.070606 119.0
[M+Na]+ 126.052548 126.4
[M-H]- 102.056054 119.8
[M+NH4]+ 121.097153 142.1
[M+K]+ 142.026488 127.5
[M+H-H2O]+ 86.060590 114.5
[M+HCOO]- 148.061531 144.2
[M+CH3COO]- 162.077181 168.4
[M+Na-2H]- 124.037996 126.1
[M]+ 103.06278142 120.1
[M]- 103.06387858 120.1
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