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

47
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 139.4
[M+Na]+ 191.01372 151.0
[M+NH4]+ 186.05832 150.1
[M+K]+ 206.98766 145.1
[M-H]- 167.01722 148.3
[M+Na-2H]- 188.99917 148.5
[M]+ 168.02395 145.2
[M]- 168.02505 145.2
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