CID 5371522

Dtxsid101214037

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

246
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 149.0
[M+Na]+ 252.04133 156.3
[M-H]- 228.04483 152.6
[M+NH4]+ 247.08593 167.8
[M+K]+ 268.01527 155.5
[M+H-H2O]+ 212.04937 141.7
[M+HCOO]- 274.05031 169.8
[M+CH3COO]- 288.06596 192.4
[M+Na-2H]- 250.02678 149.6
[M]+ 229.05156 153.1
[M]- 229.05266 153.1
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