CID 693166

2-cyano-n-(1,3-thiazol-2-yl)acetamide

Structural Information

Molecular Formula
C6H5N3OS
SMILES
C1=CSC(=N1)NC(=O)CC#N
InChI
InChI=1S/C6H5N3OS/c7-2-1-5(10)9-6-8-3-4-11-6/h3-4H,1H2,(H,8,9,10)
InChIKey
ZSPNFPWMLPHDQS-UHFFFAOYSA-N
Compound name
2-cyano-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

167.01534 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02262 137.9
[M+Na]+ 190.00456 147.8
[M-H]- 166.00806 140.4
[M+NH4]+ 185.04916 156.8
[M+K]+ 205.97850 146.0
[M+H-H2O]+ 150.01260 124.5
[M+HCOO]- 212.01354 154.2
[M+CH3COO]- 226.02919 188.9
[M+Na-2H]- 187.99001 140.6
[M]+ 167.01479 134.1
[M]- 167.01589 134.1
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