CID 15069

4-cyanothiazole

Structural Information

Molecular Formula
C4H2N2S
SMILES
C1=C(N=CS1)C#N
InChI
InChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H
InChIKey
PNAFRZGWUVQUKH-UHFFFAOYSA-N
Compound name
1,3-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

419
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

literature stripe

Patent stripe

patents stripe