CID 6411353

Einecs 285-832-4

Structural Information

Molecular Formula
C6H7N3O3S
SMILES
COC(=O)/C(=N\O)/C1=CSC(=N1)N
InChI
InChI=1S/C6H7N3O3S/c1-12-5(10)4(9-11)3-2-13-6(7)8-3/h2,11H,1H3,(H2,7,8)/b9-4-
InChIKey
PLRLPASADYABSQ-WTKPLQERSA-N
Compound name
methyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

201.02081 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02809 140.3
[M+Na]+ 224.01003 148.0
[M-H]- 200.01353 142.9
[M+NH4]+ 219.05463 159.5
[M+K]+ 239.98397 146.7
[M+H-H2O]+ 184.01807 133.6
[M+HCOO]- 246.01901 160.2
[M+CH3COO]- 260.03466 184.0
[M+Na-2H]- 221.99548 141.5
[M]+ 201.02026 141.8
[M]- 201.02136 141.8
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