CID 45121784

466686-77-1

Structural Information

Molecular Formula
C5H2N2OS
SMILES
C1=C(N=C(S1)C=O)C#N
InChI
InChI=1S/C5H2N2OS/c6-1-4-3-9-5(2-8)7-4/h2-3H
InChIKey
XRSRQCHHXRLPRU-UHFFFAOYSA-N
Compound name
2-formyl-1,3-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.98878 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.99606 122.7
[M+Na]+ 160.97800 133.8
[M+NH4]+ 156.02260 127.9
[M+K]+ 176.95194 125.3
[M-H]- 136.98150 116.5
[M+Na-2H]- 158.96345 125.9
[M]+ 137.98823 122.0
[M]- 137.98933 122.0
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

No patent data available for this compound.