CID 5582977

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-WDZFZDKYSA-N
Compound name
ethyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

292
Patents

229.05211 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.059386 149.0
[M+Na]+ 252.041328 156.3
[M-H]- 228.044834 152.6
[M+NH4]+ 247.085933 167.8
[M+K]+ 268.015268 155.5
[M+H-H2O]+ 212.049370 141.7
[M+HCOO]- 274.050311 169.8
[M+CH3COO]- 288.065961 192.4
[M+Na-2H]- 250.026776 149.6
[M]+ 229.05156142 153.1
[M]- 229.05265858 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

literature stripe

Patent stripe

patents stripe