CID 21624949

Thiazole-5-carbonitrile

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

581
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 116.3
[M+Na]+ 132.98308 127.7
[M+NH4]+ 128.02769 122.4
[M+K]+ 148.95702 118.8
[M-H]- 108.98659 110.8
[M+Na-2H]- 130.96853 120.4
[M]+ 109.99332 115.9
[M]- 109.99441 115.9
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