CID 16227467

5-cyclopropaneamidothiophene-2-carboxylic acid

Structural Information

Molecular Formula
C9H9NO3S
SMILES
C1CC1C(=O)NC2=CC=C(S2)C(=O)O
InChI
InChI=1S/C9H9NO3S/c11-8(5-1-2-5)10-7-4-3-6(14-7)9(12)13/h3-5H,1-2H2,(H,10,11)(H,12,13)
InChIKey
DGZWPZIMGXXBLC-UHFFFAOYSA-N
Compound name
5-(cyclopropanecarbonylamino)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03032 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.037596 137.5
[M+Na]+ 234.019538 146.2
[M-H]- 210.023044 144.1
[M+NH4]+ 229.064143 152.6
[M+K]+ 249.993478 142.4
[M+H-H2O]+ 194.027580 131.9
[M+HCOO]- 256.028521 156.4
[M+CH3COO]- 270.044171 185.8
[M+Na-2H]- 232.004986 138.7
[M]+ 211.02977142 141.1
[M]- 211.03086858 141.1
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.