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

144
Patents

129.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 127.7
[M+Na]+ 152.05044 133.7
[M-H]- 128.05394 130.6
[M+NH4]+ 147.09504 151.2
[M+K]+ 168.02438 131.9
[M+H-H2O]+ 112.05848 122.5
[M+HCOO]- 174.05942 145.1
[M+CH3COO]- 188.07507 171.1
[M+Na-2H]- 150.03589 127.8
[M]+ 129.06067 123.5
[M]- 129.06177 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