CID 18975706

162959-94-6

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1CC1(C2=CC=CS2)C(=O)O
InChI
InChI=1S/C8H8O2S/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H,9,10)
InChIKey
JZGVANXRGMMXGJ-UHFFFAOYSA-N
Compound name
1-thiophen-2-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

168.0245 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03178 128.9
[M+Na]+ 191.01372 138.9
[M-H]- 167.01722 135.8
[M+NH4]+ 186.05832 147.8
[M+K]+ 206.98766 136.5
[M+H-H2O]+ 151.02176 124.6
[M+HCOO]- 213.02270 147.6
[M+CH3COO]- 227.03835 175.4
[M+Na-2H]- 188.99917 132.7
[M]+ 168.02395 132.8
[M]- 168.02505 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