CID 64994767

1445951-46-1

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC1CC(C1)CN

InChI

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

InChIKey

GSVPWASAUVYUBM-UHFFFAOYSA-N

Compound name

(3-methylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 99.1048 Da
Monoisotopic Mass: 0.8
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]+	100.112076	120.1
[M+Na]+	122.094018	125.7
[M-H]-	98.097524	123.3
[M+NH4]+	117.138623	136.6
[M+K]+	138.067958	128.1
[M+H-H2O]+	82.102060	110.2
[M+HCOO]-	144.103001	142.5
[M+CH3COO]-	158.118651	174.0
[M+Na-2H]-	120.079466	125.4
[M]+	99.10425142	125.7
[M]-	99.10534858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe