CID 592954

2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile

Structural Information

Molecular Formula
C6H6N2OS
SMILES
CN1C(=O)CSC1=CC#N
InChI
InChI=1S/C6H6N2OS/c1-8-5(9)4-10-6(8)2-3-7/h2H,4H2,1H3
InChIKey
BPCJPESPKLCZSN-UHFFFAOYSA-N
Compound name
2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

154.02008 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.027356 132.6
[M+Na]+ 177.009298 144.0
[M-H]- 153.012804 135.7
[M+NH4]+ 172.053903 153.0
[M+K]+ 192.983238 141.6
[M+H-H2O]+ 137.017340 120.7
[M+HCOO]- 199.018281 146.9
[M+CH3COO]- 213.033931 185.7
[M+Na-2H]- 174.994746 133.5
[M]+ 154.01953142 128.0
[M]- 154.02062858 128.0
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

patents stripe