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]+ 212.03760 137.5
[M+Na]+ 234.01954 146.2
[M-H]- 210.02304 144.1
[M+NH4]+ 229.06414 152.6
[M+K]+ 249.99348 142.4
[M+H-H2O]+ 194.02758 131.9
[M+HCOO]- 256.02852 156.4
[M+CH3COO]- 270.04417 185.8
[M+Na-2H]- 232.00499 138.7
[M]+ 211.02977 141.1
[M]- 211.03087 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.