CID 3087730

Brn 4425200

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]+ 207.06990 166.1
[M+Na]+ 229.05184 171.5
[M+NH4]+ 224.09644 166.1
[M+K]+ 245.02578 162.4
[M-H]- 205.05534 155.2
[M+Na-2H]- 227.03729 163.0
[M]+ 206.06207 162.5
[M]- 206.06317 162.5
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

No patent data available for this compound.