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

3
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 127.5
[M+Na]+ 160.97800 140.0
[M-H]- 136.98150 130.9
[M+NH4]+ 156.02260 148.3
[M+K]+ 176.95194 138.0
[M+H-H2O]+ 120.98604 115.3
[M+HCOO]- 182.98698 144.5
[M+CH3COO]- 197.00263 182.8
[M+Na-2H]- 158.96345 131.0
[M]+ 137.98823 125.4
[M]- 137.98933 125.4
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