CID 121553751

3-methoxy-1,2-thiazole-5-carbonitrile

Structural Information

Molecular Formula
C5H4N2OS
SMILES
COC1=NSC(=C1)C#N
InChI
InChI=1S/C5H4N2OS/c1-8-5-2-4(3-6)9-7-5/h2H,1H3
InChIKey
DTIKLZLBJRXSCH-UHFFFAOYSA-N
Compound name
3-methoxy-1,2-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.00444 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.01172 122.3
[M+Na]+ 162.99366 133.4
[M+NH4]+ 158.03826 127.8
[M+K]+ 178.96760 125.0
[M-H]- 138.99716 116.3
[M+Na-2H]- 160.97911 125.6
[M]+ 140.00389 121.7
[M]- 140.00499 121.7
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

No patent data available for this compound.