CID 97616697

1-ethyl-3-methylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CCC1(CC(C1)C)N

InChI

InChI=1S/C7H15N/c1-3-7(8)4-6(2)5-7/h6H,3-5,8H2,1-2H3

InChIKey

XSLNUJQCKAHFGP-UHFFFAOYSA-N

Compound name

1-ethyl-3-methylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 113.12045 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]+	114.12773	125.7
[M+Na]+	136.10967	131.8
[M-H]-	112.11317	129.3
[M+NH4]+	131.15427	143.7
[M+K]+	152.08361	133.9
[M+H-H2O]+	96.117710	117.1
[M+HCOO]-	158.11865	147.8
[M+CH3COO]-	172.13430	176.5
[M+Na-2H]-	134.09512	131.5
[M]+	113.11990	132.0
[M]-	113.12100	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.