CID 22395241

119154-86-8

Structural Information

Molecular Formula
C6H7N3O2S
SMILES
CO/N=C(\C=O)/C1=CSC(=N1)N
InChI
InChI=1S/C6H7N3O2S/c1-11-9-4(2-10)5-3-12-6(7)8-5/h2-3H,1H3,(H2,7,8)/b9-4+
InChIKey
LRGBSHQFAZWNDF-RUDMXATFSA-N
Compound name
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

185.0259 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03318 136.3
[M+Na]+ 208.01512 145.0
[M-H]- 184.01862 140.2
[M+NH4]+ 203.05972 156.9
[M+K]+ 223.98906 143.5
[M+H-H2O]+ 168.02316 129.4
[M+HCOO]- 230.02410 158.5
[M+CH3COO]- 244.03975 184.1
[M+Na-2H]- 206.00057 138.8
[M]+ 185.02535 138.9
[M]- 185.02645 138.9
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