CID 84352

N-ethylbenzylamine

Structural Information

Molecular Formula

C₉H₁₃N

SMILES

CCNCC1=CC=CC=C1

InChI

InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

InChIKey

HVAAHUDGWQAAOJ-UHFFFAOYSA-N

Compound name

N-benzylethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 6961
Patents: 135.1048 Da
Monoisotopic Mass: 1.8
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]+	136.11208	127.7
[M+Na]+	158.09402	134.2
[M-H]-	134.09752	131.2
[M+NH4]+	153.13862	149.3
[M+K]+	174.06796	132.4
[M+H-H2O]+	118.10206	121.9
[M+HCOO]-	180.10300	153.3
[M+CH3COO]-	194.11865	176.2
[M+Na-2H]-	156.07947	136.3
[M]+	135.10425	126.9
[M]-	135.10535	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe