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 129.7
[M+Na]+ 167.06133 135.6
[M-H]- 143.06483 132.0
[M+NH4]+ 162.10593 153.9
[M+K]+ 183.03527 133.4
[M+H-H2O]+ 127.06937 125.0
[M+HCOO]- 189.07031 147.3
[M+CH3COO]- 203.08596 174.8
[M+Na-2H]- 165.04678 130.8
[M]+ 144.07156 124.1
[M]- 144.07266 124.1
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.