CID 7656

Dibenzylamine

Structural Information

Molecular Formula

C₁₄H₁₅N

SMILES

C1=CC=C(C=C1)CNCC2=CC=CC=C2

InChI

InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2

InChIKey

BWLUMTFWVZZZND-UHFFFAOYSA-N

Compound name

N-benzyl-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 187
References: 73944
Patents: 197.12045 Da
Monoisotopic Mass: 2.7
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	143.1
[M+Na]+	220.109668	148.9
[M-H]-	196.113174	149.3
[M+NH4]+	215.154273	161.7
[M+K]+	236.083608	144.9
[M+H-H2O]+	180.117710	135.6
[M+HCOO]-	242.118651	168.6
[M+CH3COO]-	256.134301	187.0
[M+Na-2H]-	218.095116	151.7
[M]+	197.11990142	141.5
[M]-	197.12099858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe