CID 2760963

24095-40-7

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C14H13NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H,10,15H2

InChIKey

UFQYYMAIVVSKPU-UHFFFAOYSA-N

Compound name

[4-(aminomethyl)phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 211.09972 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe