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]+ 145.079386 129.7
[M+Na]+ 167.061328 135.6
[M-H]- 143.064834 132.0
[M+NH4]+ 162.105933 153.9
[M+K]+ 183.035268 133.4
[M+H-H2O]+ 127.069370 125.0
[M+HCOO]- 189.070311 147.3
[M+CH3COO]- 203.085961 174.8
[M+Na-2H]- 165.046776 130.8
[M]+ 144.07156142 124.1
[M]- 144.07265858 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.