CID 21274620

1-cyclobutylethan-1-amine

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC(C1CCC1)N

InChI

InChI=1S/C6H13N/c1-5(7)6-3-2-4-6/h5-6H,2-4,7H2,1H3

InChIKey

GDGHPMLCHFTAIY-UHFFFAOYSA-N

Compound name

1-cyclobutylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 351
Patents: 99.1048 Da
Monoisotopic Mass: 1.0
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]+	100.11208	122.1
[M+Na]+	122.09402	126.5
[M-H]-	98.097524	125.1
[M+NH4]+	117.13862	138.2
[M+K]+	138.06796	129.4
[M+H-H2O]+	82.102060	111.9
[M+HCOO]-	144.10300	143.5
[M+CH3COO]-	158.11865	173.7
[M+Na-2H]-	120.07947	126.7
[M]+	99.104251	126.7
[M]-	99.105349	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe