CID 94423436

Rac-(1r,2r)-2-(2-ethylphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
CCC1=CC=CC=C1[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C12H14O2/c1-2-8-5-3-4-6-9(8)10-7-11(10)12(13)14/h3-6,10-11H,2,7H2,1H3,(H,13,14)/t10-,11+/m0/s1
InChIKey
LZDFLLRAVJJAPA-WDEREUQCSA-N
Compound name
(1R,2R)-2-(2-ethylphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.1
[M+Na]+ 213.08860 147.6
[M-H]- 189.09210 144.8
[M+NH4]+ 208.13320 152.7
[M+K]+ 229.06254 144.0
[M+H-H2O]+ 173.09664 132.0
[M+HCOO]- 235.09758 160.5
[M+CH3COO]- 249.11323 185.8
[M+Na-2H]- 211.07405 142.5
[M]+ 190.09883 140.8
[M]- 190.09993 140.8
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.