CID 19428934

1452-17-1

Structural Information

Molecular Formula
C4H2N2S
SMILES
C1=CSN=C1C#N
InChI
InChI=1S/C4H2N2S/c5-3-4-1-2-7-6-4/h1-2H
InChIKey
RKKGUHKROGFETL-UHFFFAOYSA-N
Compound name
1,2-thiazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

650
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

literature stripe

Patent stripe

patents stripe