CID 32639824

Methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C8H10N2O4S
SMILES
COC(=O)CC1=C(SC(=N1)N)C(=O)OC
InChI
InChI=1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)15-8(9)10-4/h3H2,1-2H3,(H2,9,10)
InChIKey
PXALLAPTWSEEKF-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-(2-methoxy-2-oxoethyl)-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

230.03613 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04341 148.2
[M+Na]+ 253.02535 156.7
[M-H]- 229.02885 150.9
[M+NH4]+ 248.06995 166.8
[M+K]+ 268.99929 155.6
[M+H-H2O]+ 213.03339 141.9
[M+HCOO]- 275.03433 166.8
[M+CH3COO]- 289.04998 188.2
[M+Na-2H]- 251.01080 147.4
[M]+ 230.03558 153.1
[M]- 230.03668 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