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
1
Annotation Hits

0
References

110
Patents

214.04121 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04849 144.8
[M+Na]+ 237.03043 152.9
[M-H]- 213.03393 147.5
[M+NH4]+ 232.07503 164.2
[M+K]+ 253.00437 151.1
[M+H-H2O]+ 197.03847 138.2
[M+HCOO]- 259.03941 164.8
[M+CH3COO]- 273.05506 185.3
[M+Na-2H]- 235.01588 146.5
[M]+ 214.04066 149.5
[M]- 214.04176 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