CID 9567950

65243-09-6

Structural Information

Molecular Formula
C7H9N3O3S
SMILES
COC(=O)/C(=N\OC)/C1=CSC(=N1)N
InChI
InChI=1S/C7H9N3O3S/c1-12-6(11)5(10-13-2)4-3-14-7(8)9-4/h3H,1-2H3,(H2,8,9)/b10-5-
InChIKey
MJAIDGPTIFCPGD-YHYXMXQVSA-N
Compound name
methyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

215.03647 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.043746 144.6
[M+Na]+ 238.025688 152.3
[M-H]- 214.029194 148.4
[M+NH4]+ 233.070293 163.9
[M+K]+ 253.999628 151.7
[M+H-H2O]+ 198.033730 137.4
[M+HCOO]- 260.034671 165.7
[M+CH3COO]- 274.050321 189.4
[M+Na-2H]- 236.011136 145.7
[M]+ 215.03592142 148.3
[M]- 215.03701858 148.3
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