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

1090
Patents

99.1048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 120.2
[M+Na]+ 122.09402 126.8
[M-H]- 98.097524 123.2
[M+NH4]+ 117.13862 146.6
[M+K]+ 138.06796 126.1
[M+H-H2O]+ 82.102060 116.0
[M+HCOO]- 144.10300 143.9
[M+CH3COO]- 158.11865 166.8
[M+Na-2H]- 120.07947 126.2
[M]+ 99.104251 115.3
[M]- 99.105349 115.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe