CID 592954

56196-65-7

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

1
Patents

154.02008 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.02736 132.6
[M+Na]+ 177.00930 144.0
[M-H]- 153.01280 135.7
[M+NH4]+ 172.05390 153.0
[M+K]+ 192.98324 141.6
[M+H-H2O]+ 137.01734 120.7
[M+HCOO]- 199.01828 146.9
[M+CH3COO]- 213.03393 185.7
[M+Na-2H]- 174.99475 133.5
[M]+ 154.01953 128.0
[M]- 154.02063 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