CID 135600397

166983-43-3

Structural Information

Molecular Formula
C6H5N3OS
SMILES
CC1=CSC(=N1)/C(=N\O)/C#N
InChI
InChI=1S/C6H5N3OS/c1-4-3-11-6(8-4)5(2-7)9-10/h3,10H,1H3/b9-5-
InChIKey
CHOVGJJHNHSEPT-UITAMQMPSA-N
Compound name
(2Z)-2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.01534 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02262 137.7
[M+Na]+ 190.00456 148.4
[M-H]- 166.00806 140.7
[M+NH4]+ 185.04916 156.9
[M+K]+ 205.97850 146.7
[M+H-H2O]+ 150.01260 124.7
[M+HCOO]- 212.01354 154.1
[M+CH3COO]- 226.02919 189.9
[M+Na-2H]- 187.99001 139.9
[M]+ 167.01479 134.3
[M]- 167.01589 134.3
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