CID 8102

Hexylamine

Structural Information

Molecular Formula

C₆H₁₅N

SMILES

CCCCCCN

InChI

InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3

InChIKey

BMVXCPBXGZKUPN-UHFFFAOYSA-N

Compound name

hexan-1-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 159
References: 129530
Patents: 101.12045 Da
Monoisotopic Mass: 2.1
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]+	102.127726	123.2
[M+Na]+	124.109668	129.6
[M-H]-	100.113174	123.0
[M+NH4]+	119.154273	146.2
[M+K]+	140.083608	129.1
[M+H-H2O]+	84.117710	118.6
[M+HCOO]-	146.118651	147.4
[M+CH3COO]-	160.134301	171.3
[M+Na-2H]-	122.095116	129.5
[M]+	101.11990142	122.7
[M]-	101.12099858	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe