CID 55291584

1-cyclobutylpropan-2-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC(CC1CCC1)N

InChI

InChI=1S/C7H15N/c1-6(8)5-7-3-2-4-7/h6-7H,2-5,8H2,1H3

InChIKey

GPEFCRXOFGOZFQ-UHFFFAOYSA-N

Compound name

1-cyclobutylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 113.12045 Da
Monoisotopic Mass: 1.9
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	126.8
[M+Na]+	136.10967	130.8
[M-H]-	112.11317	129.6
[M+NH4]+	131.15427	142.4
[M+K]+	152.08361	133.4
[M+H-H2O]+	96.117710	116.4
[M+HCOO]-	158.11865	147.9
[M+CH3COO]-	172.13430	176.7
[M+Na-2H]-	134.09512	130.9
[M]+	113.11990	131.7
[M]-	113.12100	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe