CID 40670

Benzylamine, n-(2-propyl)pentyl-, hydrochloride

Structural Information

Molecular Formula

C₁₅H₂₅N

SMILES

CCCC(CCC)CNCC1=CC=CC=C1

InChI

InChI=1S/C15H25N/c1-3-8-14(9-4-2)12-16-13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,3-4,8-9,12-13H2,1-2H3

InChIKey

KQHCABMGQBGDDJ-UHFFFAOYSA-N

Compound name

N-benzyl-2-propylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.1987 Da
Monoisotopic Mass: 4.4
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]+	220.205976	156.3
[M+Na]+	242.187918	159.9
[M-H]-	218.191424	158.6
[M+NH4]+	237.232523	174.3
[M+K]+	258.161858	156.9
[M+H-H2O]+	202.195960	149.2
[M+HCOO]-	264.196901	178.8
[M+CH3COO]-	278.212551	195.2
[M+Na-2H]-	240.173366	160.2
[M]+	219.19815142	156.9
[M]-	219.19924858	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe