CID 165831627

Rac-(1r,2r)-2-benzyl-1-methylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
C[C@@]1(C[C@@H]1CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H14O2/c1-12(11(13)14)8-10(12)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,13,14)/t10-,12-/m0/s1
InChIKey
WFWKEQDGCHXMLU-JQWIXIFHSA-N
Compound name
(1S,2S)-2-benzyl-1-methylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 144.7
[M+Na]+ 213.08860 158.5
[M+NH4]+ 208.13320 155.0
[M+K]+ 229.06254 151.9
[M-H]- 189.09210 154.5
[M+Na-2H]- 211.07405 155.5
[M]+ 190.09883 150.7
[M]- 190.09993 150.7
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.