CID 54594981

1-aminocyclopentane-1-carbothioamide hydrochloride

Structural Information

Molecular Formula
C6H12N2S
SMILES
C1CCC(C1)(C(=S)N)N
InChI
InChI=1S/C6H12N2S/c7-5(9)6(8)3-1-2-4-6/h1-4,8H2,(H2,7,9)
InChIKey
JQMJLBHRSIEGIH-UHFFFAOYSA-N
Compound name
1-aminocyclopentane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.07211 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07939 130.2
[M+Na]+ 167.06133 136.8
[M+NH4]+ 162.10593 140.4
[M+K]+ 183.03527 130.5
[M-H]- 143.06483 132.1
[M+Na-2H]- 165.04678 134.9
[M]+ 144.07156 131.9
[M]- 144.07266 131.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.