CID 103168976

1-cyclobutylbut-3-en-2-amine hydrochloride

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C=CC(CC1CCC1)N

InChI

InChI=1S/C8H15N/c1-2-8(9)6-7-4-3-5-7/h2,7-8H,1,3-6,9H2

InChIKey

SOMXVVUJUBZAQA-UHFFFAOYSA-N

Compound name

1-cyclobutylbut-3-en-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 125.12045 Da
Monoisotopic Mass: 2.0
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]+	126.12773	130.4
[M+Na]+	148.10967	134.3
[M-H]-	124.11317	133.0
[M+NH4]+	143.15427	145.4
[M+K]+	164.08361	136.0
[M+H-H2O]+	108.11771	119.8
[M+HCOO]-	170.11865	151.3
[M+CH3COO]-	184.13430	178.7
[M+Na-2H]-	146.09512	133.9
[M]+	125.11990	135.0
[M]-	125.12100	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.