CID 3052837

1-cyanocyclopentanedithiocarbamic acid

Structural Information

Molecular Formula
C7H10N2S2
SMILES
C1CCC(C1)(C#N)NC(=S)S
InChI
InChI=1S/C7H10N2S2/c8-5-7(9-6(10)11)3-1-2-4-7/h1-4H2,(H2,9,10,11)
InChIKey
UWRLQGXCYOASLM-UHFFFAOYSA-N
Compound name
(1-cyanocyclopentyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.02853 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.035806 147.1
[M+Na]+ 209.017748 156.7
[M-H]- 185.021254 151.2
[M+NH4]+ 204.062353 168.8
[M+K]+ 224.991688 153.1
[M+H-H2O]+ 169.025790 136.3
[M+HCOO]- 231.026731 156.3
[M+CH3COO]- 245.042381 192.1
[M+Na-2H]- 207.003196 147.5
[M]+ 186.02798142 141.4
[M]- 186.02907858 141.4
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.