CID 53765090

1-ethylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CCC1(CCC1)N

InChI

InChI=1S/C6H13N/c1-2-6(7)4-3-5-6/h2-5,7H2,1H3

InChIKey

XGXNQIUNHHNDAQ-UHFFFAOYSA-N

Compound name

1-ethylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 99.1048 Da
Monoisotopic Mass: 0.9
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]+	100.11208	121.3
[M+Na]+	122.09402	127.0
[M-H]-	98.097524	124.7
[M+NH4]+	117.13862	139.6
[M+K]+	138.06796	129.3
[M+H-H2O]+	82.102060	112.6
[M+HCOO]-	144.10300	143.8
[M+CH3COO]-	158.11865	172.5
[M+Na-2H]-	120.07947	128.3
[M]+	99.104251	126.9
[M]-	99.105349	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe