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 147.2
[M+Na]+ 237.03043 154.1
[M+NH4]+ 232.07503 153.3
[M+K]+ 253.00437 151.5
[M-H]- 213.03393 147.1
[M+Na-2H]- 235.01588 148.7
[M]+ 214.04066 148.1
[M]- 214.04176 148.1
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

No patent data available for this compound.