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]+ 187.03581 147.1
[M+Na]+ 209.01775 156.7
[M-H]- 185.02125 151.2
[M+NH4]+ 204.06235 168.8
[M+K]+ 224.99169 153.1
[M+H-H2O]+ 169.02579 136.3
[M+HCOO]- 231.02673 156.3
[M+CH3COO]- 245.04238 192.1
[M+Na-2H]- 207.00320 147.5
[M]+ 186.02798 141.4
[M]- 186.02908 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.