CID 21624949

25742-12-5

Structural Information

Molecular Formula
C4H2N2S
SMILES
C1=C(SC=N1)C#N
InChI
InChI=1S/C4H2N2S/c5-1-4-2-6-3-7-4/h2-3H
InChIKey
XWXPRCDFFCVMNT-UHFFFAOYSA-N
Compound name
1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

712
Patents

109.993866 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.00114 120.9
[M+Na]+ 132.98308 132.9
[M-H]- 108.98659 124.0
[M+NH4]+ 128.02769 142.6
[M+K]+ 148.95702 131.3
[M+H-H2O]+ 92.991126 108.6
[M+HCOO]- 154.99207 137.8
[M+CH3COO]- 169.00772 178.3
[M+Na-2H]- 130.96853 125.4
[M]+ 109.99332 117.5
[M]- 109.99441 117.5
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