CID 57501523

1-(3-benzoylphenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C14H13NO
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)CN
InChI
InChI=1S/C14H13NO/c15-10-11-5-4-8-13(9-11)14(16)12-6-2-1-3-7-12/h1-9H,10,15H2
InChIKey
SFDBKPUCVTYVHW-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

211.09972 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10700 147.8
[M+Na]+ 234.08894 161.8
[M+NH4]+ 229.13354 156.9
[M+K]+ 250.06288 154.1
[M-H]- 210.09244 153.1
[M+Na-2H]- 232.07439 157.6
[M]+ 211.09917 151.3
[M]- 211.10027 151.3
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