CID 5486924

65872-41-5

Structural Information

Molecular Formula
C6H7N3O3S
SMILES
CO/N=C(/C1=CSC(=N1)N)\C(=O)O
InChI
InChI=1S/C6H7N3O3S/c1-12-9-4(5(10)11)3-2-13-6(7)8-3/h2H,1H3,(H2,7,8)(H,10,11)/b9-4-
InChIKey
NLARCUDOUOQRPB-WTKPLQERSA-N
Compound name
(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

1008
Patents

201.02081 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02809 140.0
[M+Na]+ 224.01003 147.7
[M-H]- 200.01353 142.5
[M+NH4]+ 219.05463 159.1
[M+K]+ 239.98397 146.4
[M+H-H2O]+ 184.01807 133.2
[M+HCOO]- 246.01901 159.9
[M+CH3COO]- 260.03466 184.6
[M+Na-2H]- 221.99548 141.2
[M]+ 201.02026 141.6
[M]- 201.02136 141.6
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