CID 12836185

N-butylcyclopropanamine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCCCNC1CC1

InChI

InChI=1S/C7H15N/c1-2-3-6-8-7-4-5-7/h7-8H,2-6H2,1H3

InChIKey

JCGRNPRBHMFNHS-UHFFFAOYSA-N

Compound name

N-butylcyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 113.12045 Da
Monoisotopic Mass: 1.6
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]+	114.12773	123.9
[M+Na]+	136.10967	131.9
[M-H]-	112.11317	128.5
[M+NH4]+	131.15427	141.7
[M+K]+	152.08361	130.2
[M+H-H2O]+	96.117710	118.0
[M+HCOO]-	158.11865	148.9
[M+CH3COO]-	172.13430	177.1
[M+Na-2H]-	134.09512	131.5
[M]+	113.11990	126.0
[M]-	113.12100	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe