CID 22141080

Cyclopentanecarbothioamide

Structural Information

Molecular Formula
C6H11NS
SMILES
C1CCC(C1)C(=S)N
InChI
InChI=1S/C6H11NS/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H2,7,8)
InChIKey
WJWCBZIJPAIHLU-UHFFFAOYSA-N
Compound name
cyclopentanecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

129.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 127.7
[M+Na]+ 152.050438 133.7
[M-H]- 128.053944 130.6
[M+NH4]+ 147.095043 151.2
[M+K]+ 168.024378 131.9
[M+H-H2O]+ 112.058480 122.5
[M+HCOO]- 174.059421 145.1
[M+CH3COO]- 188.075071 171.1
[M+Na-2H]- 150.035886 127.8
[M]+ 129.06067142 123.5
[M]- 129.06176858 123.5
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

patents stripe