CID 1393037

2512187-09-4

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

CC1=CC=CC=C1C2=CC=CC=C2CN

InChI

InChI=1S/C14H15N/c1-11-6-2-4-8-13(11)14-9-5-3-7-12(14)10-15/h2-9H,10,15H2,1H3

InChIKey

KMKYKXAYRUYGKI-UHFFFAOYSA-N

Compound name

[2-(2-methylphenyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 197.12045 Da
Monoisotopic Mass: 2.8
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]+	198.12773	143.7
[M+Na]+	220.10967	151.5
[M-H]-	196.11317	150.3
[M+NH4]+	215.15427	162.8
[M+K]+	236.08361	147.2
[M+H-H2O]+	180.11771	136.8
[M+HCOO]-	242.11865	168.6
[M+CH3COO]-	256.13430	188.5
[M+Na-2H]-	218.09512	149.8
[M]+	197.11990	141.9
[M]-	197.12100	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe