CID 300166

Ethyl n-carbonylcarbamate

Structural Information

Molecular Formula
C4H5NO3
SMILES
CCOC(=O)N=C=O
InChI
InChI=1S/C4H5NO3/c1-2-8-4(7)5-3-6/h2H2,1H3
InChIKey
VMVZGGPZNHFGKS-UHFFFAOYSA-N
Compound name
ethyl N-(oxomethylidene)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1477
Patents

115.02694 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.034216 117.8
[M+Na]+ 138.016158 126.3
[M-H]- 114.019664 120.1
[M+NH4]+ 133.060763 141.0
[M+K]+ 153.990098 127.6
[M+H-H2O]+ 98.024200 113.1
[M+HCOO]- 160.025141 145.2
[M+CH3COO]- 174.040791 170.6
[M+Na-2H]- 136.001606 125.6
[M]+ 115.02639142 120.9
[M]- 115.02748858 120.9
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