CID 5371522

64485-88-7

Structural Information

Molecular Formula
C8H11N3O3S
SMILES
CCOC(=O)/C(=N/OC)/C1=CSC(=N1)N
InChI
InChI=1S/C8H11N3O3S/c1-3-14-7(12)6(11-13-2)5-4-15-8(9)10-5/h4H,3H2,1-2H3,(H2,9,10)/b11-6+
InChIKey
POBMBNPEUPDXRS-IZZDOVSWSA-N
Compound name
ethyl (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

233
Patents

229.05211 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05939 150.3
[M+Na]+ 252.04133 157.4
[M+NH4]+ 247.08593 156.3
[M+K]+ 268.01527 154.0
[M-H]- 228.04483 150.4
[M+Na-2H]- 250.02678 153.0
[M]+ 229.05156 151.2
[M]- 229.05266 151.2
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