CID 68047356

1252903-38-0

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1CC1C2=CSC(=C2)C(=O)O
InChI
InChI=1S/C8H8O2S/c9-8(10)7-3-6(4-11-7)5-1-2-5/h3-5H,1-2H2,(H,9,10)
InChIKey
JQLHUXQOTDLSQY-UHFFFAOYSA-N
Compound name
4-cyclopropylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.0245 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.031776 127.6
[M+Na]+ 191.013718 137.8
[M-H]- 167.017224 134.5
[M+NH4]+ 186.058323 144.9
[M+K]+ 206.987658 134.4
[M+H-H2O]+ 151.021760 122.4
[M+HCOO]- 213.022701 146.6
[M+CH3COO]- 227.038351 176.9
[M+Na-2H]- 188.999166 129.5
[M]+ 168.02395142 131.4
[M]- 168.02504858 131.4
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