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

696
Patents

109.993866 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.001142 120.9
[M+Na]+ 132.983084 132.9
[M-H]- 108.986590 124.0
[M+NH4]+ 128.027689 142.6
[M+K]+ 148.957024 131.3
[M+H-H2O]+ 92.991126 108.6
[M+HCOO]- 154.992067 137.8
[M+CH3COO]- 169.007717 178.3
[M+Na-2H]- 130.968532 125.4
[M]+ 109.99331742 117.5
[M]- 109.99441458 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