CID 138472

1263998-92-0

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

C1=CC=C(C=C1)CCC2=CC(=CC=C2)N

InChI

InChI=1S/C14H15N/c15-14-8-4-7-13(11-14)10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,15H2

InChIKey

VJPPMUFNJJMKGK-UHFFFAOYSA-N

Compound name

3-(2-phenylethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 136
Patents: 197.12045 Da
Monoisotopic Mass: 3.5
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]+	198.127726	143.7
[M+Na]+	220.109668	150.6
[M-H]-	196.113174	149.9
[M+NH4]+	215.154273	162.4
[M+K]+	236.083608	146.2
[M+H-H2O]+	180.117710	136.6
[M+HCOO]-	242.118651	168.6
[M+CH3COO]-	256.134301	187.4
[M+Na-2H]-	218.095116	150.6
[M]+	197.11990142	141.5
[M]-	197.12099858	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe