CID 10607197

Rac-(1r,2r)-2-(thiophen-3-yl)cyclopropane-1-carboxylicacid

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1[C@@H]([C@H]1C(=O)O)C2=CSC=C2
InChI
InChI=1S/C8H8O2S/c9-8(10)7-3-6(7)5-1-2-11-4-5/h1-2,4,6-7H,3H2,(H,9,10)/t6-,7+/m1/s1
InChIKey
ZZCJDGURVYEFFD-RQJHMYQMSA-N
Compound name
(1S,2S)-2-thiophen-3-ylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

168.0245 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03178 127.6
[M+Na]+ 191.01372 137.8
[M-H]- 167.01722 134.5
[M+NH4]+ 186.05832 144.9
[M+K]+ 206.98766 134.4
[M+H-H2O]+ 151.02176 122.4
[M+HCOO]- 213.02270 146.6
[M+CH3COO]- 227.03835 176.9
[M+Na-2H]- 188.99917 129.5
[M]+ 168.02395 131.4
[M]- 168.02505 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