CID 17436

Acetylurethane

Structural Information

Molecular Formula
C5H9NO3
SMILES
CCOC(=O)NC(=O)C
InChI
InChI=1S/C5H9NO3/c1-3-9-5(8)6-4(2)7/h3H2,1-2H3,(H,6,7,8)
InChIKey
CLLOFODTUXGHHT-UHFFFAOYSA-N
Compound name
ethyl N-acetylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

131.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.4
[M+Na]+ 154.04746 135.0
[M+NH4]+ 149.09206 133.0
[M+K]+ 170.02140 131.6
[M-H]- 130.05096 124.8
[M+Na-2H]- 152.03291 129.1
[M]+ 131.05769 126.7
[M]- 131.05879 126.7
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