CID 3087730

Ethanethioamide, 2-cyano-2-(1-(cyanomethyl)-2-pyrrolidinylidene)-

Structural Information

Molecular Formula
C9H10N4S
SMILES
C1C/C(=C(/C#N)\C(=S)N)/N(C1)CC#N
InChI
InChI=1S/C9H10N4S/c10-3-5-13-4-1-2-8(13)7(6-11)9(12)14/h1-2,4-5H2,(H2,12,14)/b8-7+
InChIKey
HJZWTSUWSKLDQF-BQYQJAHWSA-N
Compound name
(2E)-2-cyano-2-[1-(cyanomethyl)pyrrolidin-2-ylidene]ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06262 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.069896 164.2
[M+Na]+ 229.051838 172.4
[M-H]- 205.055344 166.8
[M+NH4]+ 224.096443 176.7
[M+K]+ 245.025778 169.7
[M+H-H2O]+ 189.059880 148.2
[M+HCOO]- 251.060821 170.4
[M+CH3COO]- 265.076471 216.9
[M+Na-2H]- 227.037286 160.7
[M]+ 206.06207142 153.7
[M]- 206.06316858 153.7
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.