CID 12941491

(3-amino-phenyl)-carbamic acid benzyl ester

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=C2)N
InChI
InChI=1S/C14H14N2O2/c15-12-7-4-8-13(9-12)16-14(17)18-10-11-5-2-1-3-6-11/h1-9H,10,15H2,(H,16,17)
InChIKey
LVKFFMWGFFEDEE-UHFFFAOYSA-N
Compound name
benzyl N-(3-aminophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

242.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 153.8
[M+Na]+ 265.09475 159.7
[M-H]- 241.09825 160.0
[M+NH4]+ 260.13935 170.1
[M+K]+ 281.06869 156.4
[M+H-H2O]+ 225.10279 145.8
[M+HCOO]- 287.10373 179.3
[M+CH3COO]- 301.11938 195.3
[M+Na-2H]- 263.08020 159.7
[M]+ 242.10498 152.2
[M]- 242.10608 152.2
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

patents stripe