CID 55295696

1-butylcyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCCCC1(CC1)N

InChI

InChI=1S/C7H15N/c1-2-3-4-7(8)5-6-7/h2-6,8H2,1H3

InChIKey

PUUGBPNQGGDVES-UHFFFAOYSA-N

Compound name

1-butylcyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 113.12045 Da
Monoisotopic Mass: 1.5
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]+	114.127726	124.1
[M+Na]+	136.109668	132.8
[M-H]-	112.113174	128.5
[M+NH4]+	131.154273	143.5
[M+K]+	152.083608	131.6
[M+H-H2O]+	96.117710	119.6
[M+HCOO]-	158.118651	148.1
[M+CH3COO]-	172.134301	176.0
[M+Na-2H]-	134.095116	131.7
[M]+	113.11990142	125.6
[M]-	113.12099858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe