CID 12308573

25039-77-4

Structural Information

Molecular Formula
C7H10N2O3S
SMILES
CCOC(=O)C1=C(N=C(S1)N)CO
InChI
InChI=1S/C7H10N2O3S/c1-2-12-6(11)5-4(3-10)9-7(8)13-5/h10H,2-3H2,1H3,(H2,8,9)
InChIKey
WBYRGTSHEKSBKF-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

202.04121 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.048486 141.4
[M+Na]+ 225.030428 150.1
[M-H]- 201.033934 142.7
[M+NH4]+ 220.075033 160.6
[M+K]+ 241.004368 147.8
[M+H-H2O]+ 185.038470 135.4
[M+HCOO]- 247.039411 159.4
[M+CH3COO]- 261.055061 181.2
[M+Na-2H]- 223.015876 141.5
[M]+ 202.04066142 144.0
[M]- 202.04175858 144.0
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