CID 16786652

953907-34-1

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CC1=C(SC(=C1C(=O)O)NC(=O)N)C
InChI
InChI=1S/C8H10N2O3S/c1-3-4(2)14-6(10-8(9)13)5(3)7(11)12/h1-2H3,(H,11,12)(H3,9,10,13)
InChIKey
XENNTKNMTWSZMG-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04121 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04849 145.2
[M+Na]+ 237.03043 153.1
[M-H]- 213.03393 147.9
[M+NH4]+ 232.07503 164.8
[M+K]+ 253.00437 150.5
[M+H-H2O]+ 197.03847 139.6
[M+HCOO]- 259.03941 163.9
[M+CH3COO]- 273.05506 188.1
[M+Na-2H]- 235.01588 143.6
[M]+ 214.04066 145.8
[M]- 214.04176 145.8
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

No patent data available for this compound.