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 139.8
[M+Na]+ 213.08860 149.0
[M-H]- 189.09210 146.5
[M+NH4]+ 208.13320 155.9
[M+K]+ 229.06254 146.5
[M+H-H2O]+ 173.09664 134.5
[M+HCOO]- 235.09758 161.8
[M+CH3COO]- 249.11323 184.2
[M+Na-2H]- 211.07405 145.8
[M]+ 190.09883 142.5
[M]- 190.09993 142.5
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.