CID 58623961

623558-68-9

Structural Information

Molecular Formula
C8H7N3OS
SMILES
CCN1C(=O)CSC1=C(C#N)C#N
InChI
InChI=1S/C8H7N3OS/c1-2-11-7(12)5-13-8(11)6(3-9)4-10/h2,5H2,1H3
InChIKey
UVOQLYXMOFOJJE-UHFFFAOYSA-N
Compound name
2-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

193.03099 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 156.3
[M+Na]+ 216.020208 166.4
[M-H]- 192.023714 159.9
[M+NH4]+ 211.064813 170.1
[M+K]+ 231.994148 164.0
[M+H-H2O]+ 176.028250 141.1
[M+HCOO]- 238.029191 163.7
[M+CH3COO]- 252.044841 213.8
[M+Na-2H]- 214.005656 154.4
[M]+ 193.03044142 148.6
[M]- 193.03153858 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe