CID 1394215

[1,1'-biphenyl]-3-carboxylic acid, 3'-amino-, methyl ester

Structural Information

Molecular Formula
C14H13NO2
SMILES
COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)N
InChI
InChI=1S/C14H13NO2/c1-17-14(16)12-6-2-4-10(8-12)11-5-3-7-13(15)9-11/h2-9H,15H2,1H3
InChIKey
OZGKLPFPUYBIGL-UHFFFAOYSA-N
Compound name
methyl 3-(3-aminophenyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

227.09464 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 150.1
[M+Na]+ 250.08386 157.7
[M-H]- 226.08736 156.8
[M+NH4]+ 245.12846 167.6
[M+K]+ 266.05780 154.5
[M+H-H2O]+ 210.09190 142.7
[M+HCOO]- 272.09284 174.6
[M+CH3COO]- 286.10849 192.0
[M+Na-2H]- 248.06931 154.8
[M]+ 227.09409 149.7
[M]- 227.09519 149.7
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