CID 93696026

Rac-2-[(1r,2s)-2-(4-methoxyphenyl)cyclopropyl]acetic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
COC1=CC=C(C=C1)[C@@H]2C[C@H]2CC(=O)O
InChI
InChI=1S/C12H14O3/c1-15-10-4-2-8(3-5-10)11-6-9(11)7-12(13)14/h2-5,9,11H,6-7H2,1H3,(H,13,14)/t9-,11-/m0/s1
InChIKey
KBRGKJHCWDGEIX-ONGXEEELSA-N
Compound name
2-[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 142.0
[M+Na]+ 229.08352 151.3
[M-H]- 205.08702 148.6
[M+NH4]+ 224.12812 155.8
[M+K]+ 245.05746 148.1
[M+H-H2O]+ 189.09156 135.7
[M+HCOO]- 251.09250 164.4
[M+CH3COO]- 265.10815 187.8
[M+Na-2H]- 227.06897 146.3
[M]+ 206.09375 146.1
[M]- 206.09485 146.1
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.