CID 23004859

5-cyclopropylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1CC1C2=CC=C(S2)C(=O)O
InChI
InChI=1S/C8H8O2S/c9-8(10)7-4-3-6(11-7)5-1-2-5/h3-5H,1-2H2,(H,9,10)
InChIKey
VRNOULWNJXYFAU-UHFFFAOYSA-N
Compound name
5-cyclopropylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.0245 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03178 137.4
[M+Na]+ 191.01372 149.1
[M+NH4]+ 186.05832 146.8
[M+K]+ 206.98766 145.1
[M-H]- 167.01722 146.3
[M+Na-2H]- 188.99917 144.8
[M]+ 168.02395 143.0
[M]- 168.02505 143.0
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