CID 55295072

1-cyclobutylprop-2-en-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C=CC(C1CCC1)N

InChI

InChI=1S/C7H13N/c1-2-7(8)6-4-3-5-6/h2,6-7H,1,3-5,8H2

InChIKey

GEOLBRQXIANOAG-UHFFFAOYSA-N

Compound name

1-cyclobutylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 111.1048 Da
Monoisotopic Mass: 1.3
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]+	112.112076	125.7
[M+Na]+	134.094018	130.0
[M-H]-	110.097524	128.5
[M+NH4]+	129.138623	141.2
[M+K]+	150.067958	132.0
[M+H-H2O]+	94.102060	115.3
[M+HCOO]-	156.103001	146.9
[M+CH3COO]-	170.118651	175.8
[M+Na-2H]-	132.079466	129.8
[M]+	111.10425142	129.9
[M]-	111.10534858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe