CID 520998

40571-45-7

Structural Information

Molecular Formula

C₆H₁₃N

SMILES

CC1(CCCC1)N

InChI

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

InChIKey

TWASBYPJZBHZQJ-UHFFFAOYSA-N

Compound name

1-methylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 596
Patents: 99.1048 Da
Monoisotopic Mass: 0.7
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	120.7
[M+Na]+	122.09402	130.0
[M+NH4]+	117.13862	131.8
[M+K]+	138.06796	124.1
[M-H]-	98.097524	123.0
[M+Na-2H]-	120.07947	127.3
[M]+	99.104251	122.6
[M]-	99.105349	122.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe