CID 50988701

Benzyl 3-(aminomethyl)benzoate hydrochloride

Structural Information

Molecular Formula
C15H15NO2
SMILES
C1=CC=C(C=C1)COC(=O)C2=CC=CC(=C2)CN
InChI
InChI=1S/C15H15NO2/c16-10-13-7-4-8-14(9-13)15(17)18-11-12-5-2-1-3-6-12/h1-9H,10-11,16H2
InChIKey
BYBCIJRHVGNOPT-UHFFFAOYSA-N
Compound name
benzyl 3-(aminomethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

241.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.9
[M+Na]+ 264.09950 161.1
[M-H]- 240.10300 161.0
[M+NH4]+ 259.14410 171.5
[M+K]+ 280.07344 157.6
[M+H-H2O]+ 224.10754 147.1
[M+HCOO]- 286.10848 179.0
[M+CH3COO]- 300.12413 193.8
[M+Na-2H]- 262.08495 159.8
[M]+ 241.10973 154.4
[M]- 241.11083 154.4
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