CID 602871

350996-94-0

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CC1=C(SC(=C1C(=O)OC)N)C(=O)N
InChI
InChI=1S/C8H10N2O3S/c1-3-4(8(12)13-2)7(10)14-5(3)6(9)11/h10H2,1-2H3,(H2,9,11)
InChIKey
VHKVKXQMRTVIML-UHFFFAOYSA-N
Compound name
methyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.04121 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 145.2
[M+Na]+ 237.030428 153.6
[M-H]- 213.033934 148.8
[M+NH4]+ 232.075033 165.3
[M+K]+ 253.004368 151.5
[M+H-H2O]+ 197.038470 139.4
[M+HCOO]- 259.039411 164.8
[M+CH3COO]- 273.055061 189.9
[M+Na-2H]- 235.015876 143.0
[M]+ 214.04066142 146.7
[M]- 214.04175858 146.7
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