CID 137966053

2230799-35-4

Structural Information

Molecular Formula
C15H15NO2
SMILES
COC(=O)C1=CC=CC(=C1)C2=CC=CC=C2CN
InChI
InChI=1S/C15H15NO2/c1-18-15(17)12-7-4-6-11(9-12)14-8-3-2-5-13(14)10-16/h2-9H,10,16H2,1H3
InChIKey
TZXHYOJGONEUQY-UHFFFAOYSA-N
Compound name
methyl 3-[2-(aminomethyl)phenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.7
[M+Na]+ 264.09950 161.9
[M-H]- 240.10300 161.3
[M+NH4]+ 259.14410 171.7
[M+K]+ 280.07344 158.5
[M+H-H2O]+ 224.10754 147.2
[M+HCOO]- 286.10848 178.9
[M+CH3COO]- 300.12413 195.0
[M+Na-2H]- 262.08495 158.9
[M]+ 241.10973 154.7
[M]- 241.11083 154.7
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

No patent data available for this compound.