CID 688091

64987-05-9

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CCOC(=O)CC1=CSC(=N1)NC=O
InChI
InChI=1S/C8H10N2O3S/c1-2-13-7(12)3-6-4-14-8(10-6)9-5-11/h4-5H,2-3H2,1H3,(H,9,10,11)
InChIKey
UAGSMUJDTUOTFP-UHFFFAOYSA-N
Compound name
ethyl 2-(2-formamido-1,3-thiazol-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

130
Patents

214.04121 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 144.8
[M+Na]+ 237.030428 152.9
[M-H]- 213.033934 147.5
[M+NH4]+ 232.075033 164.2
[M+K]+ 253.004368 151.1
[M+H-H2O]+ 197.038470 138.2
[M+HCOO]- 259.039411 164.8
[M+CH3COO]- 273.055061 185.3
[M+Na-2H]- 235.015876 146.5
[M]+ 214.04066142 149.5
[M]- 214.04175858 149.5
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