CID 60688467

N-(prop-2-en-1-yl)cyclopropanamine hydrochloride

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C=CCNC1CC1

InChI

InChI=1S/C6H11N/c1-2-5-7-6-3-4-6/h2,6-7H,1,3-5H2

InChIKey

DSZJHTGYRGFVKI-UHFFFAOYSA-N

Compound name

N-prop-2-enylcyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 97.08915 Da
Monoisotopic Mass: 1.0
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]+	98.096426	118.8
[M+Na]+	120.078368	127.4
[M-H]-	96.081874	123.5
[M+NH4]+	115.122973	137.0
[M+K]+	136.052308	125.4
[M+H-H2O]+	80.086410	113.1
[M+HCOO]-	142.087351	144.2
[M+CH3COO]-	156.103001	173.3
[M+Na-2H]-	118.063816	126.9
[M]+	97.08860142	119.8
[M]-	97.08969858	119.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe