CID 135600397

Hydroxyimino(4-methyl-2-thiazolyl)acetonitrile

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

2
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 131.4
[M+Na]+ 190.00456 140.9
[M+NH4]+ 185.04916 135.9
[M+K]+ 205.97850 133.2
[M-H]- 166.00806 125.2
[M+Na-2H]- 187.99001 133.8
[M]+ 167.01479 130.3
[M]- 167.01589 130.3
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