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

7
Patents

208.0848 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 145.0
[M+Na]+ 231.074018 150.4
[M-H]- 207.077524 148.5
[M+NH4]+ 226.118623 163.0
[M+K]+ 247.047958 149.5
[M+H-H2O]+ 191.082060 138.0
[M+HCOO]- 253.083001 170.4
[M+CH3COO]- 267.098651 187.6
[M+Na-2H]- 229.059466 150.7
[M]+ 208.08425142 145.0
[M]- 208.08534858 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

literature stripe

Patent stripe

patents stripe