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
trans-(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]+ 191.106656 138.1
[M+Na]+ 213.088598 147.6
[M-H]- 189.092104 144.8
[M+NH4]+ 208.133203 152.7
[M+K]+ 229.062538 144.0
[M+H-H2O]+ 173.096640 132.0
[M+HCOO]- 235.097581 160.5
[M+CH3COO]- 249.113231 185.8
[M+Na-2H]- 211.074046 142.5
[M]+ 190.09883142 140.8
[M]- 190.09992858 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.