CID 284640

Ethyl n-benzamidocarbamate

Structural Information

Molecular Formula
C10H12N2O3
SMILES
CCOC(=O)NNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H12N2O3/c1-2-15-10(14)12-11-9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,13)(H,12,14)
InChIKey
RDGMCHMEQAKGEG-UHFFFAOYSA-N
Compound name
ethyl N-benzamidocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

208.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09208 145.0
[M+Na]+ 231.07402 150.4
[M-H]- 207.07752 148.5
[M+NH4]+ 226.11862 163.0
[M+K]+ 247.04796 149.5
[M+H-H2O]+ 191.08206 138.0
[M+HCOO]- 253.08300 170.4
[M+CH3COO]- 267.09865 187.6
[M+Na-2H]- 229.05947 150.7
[M]+ 208.08425 145.0
[M]- 208.08535 145.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.