CID 51888158

Rac-(1r,2r)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C9H10O2S
SMILES
CC1=CC=C(S1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C9H10O2S/c1-5-2-3-8(12-5)6-4-7(6)9(10)11/h2-3,6-7H,4H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKey
FQKROEPGEPPLKM-RNFRBKRXSA-N
Compound name
trans-(1R,2R)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.047426 131.0
[M+Na]+ 205.029368 141.6
[M-H]- 181.032874 138.1
[M+NH4]+ 200.073973 148.1
[M+K]+ 221.003308 137.9
[M+H-H2O]+ 165.037410 125.9
[M+HCOO]- 227.038351 149.6
[M+CH3COO]- 241.054001 180.8
[M+Na-2H]- 203.014816 131.9
[M]+ 182.03960142 135.6
[M]- 182.04069858 135.6
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

No patent data available for this compound.