CID 18975697

162960-00-1

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1CC1(C2=CSC=C2)C(=O)O
InChI
InChI=1S/C8H8O2S/c9-7(10)8(2-3-8)6-1-4-11-5-6/h1,4-5H,2-3H2,(H,9,10)
InChIKey
HWYUMIKAWWLEFY-UHFFFAOYSA-N
Compound name
1-thiophen-3-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

168.0245 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.031776 128.9
[M+Na]+ 191.013718 138.9
[M-H]- 167.017224 135.8
[M+NH4]+ 186.058323 147.8
[M+K]+ 206.987658 136.5
[M+H-H2O]+ 151.021760 124.6
[M+HCOO]- 213.022701 147.6
[M+CH3COO]- 227.038351 175.4
[M+Na-2H]- 188.999166 132.7
[M]+ 168.02395142 132.8
[M]- 168.02504858 132.8
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