CID 93696026

1969288-22-9

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 146.0
[M+Na]+ 229.08352 159.5
[M+NH4]+ 224.12812 154.4
[M+K]+ 245.05746 155.2
[M-H]- 205.08702 155.2
[M+Na-2H]- 227.06897 154.7
[M]+ 206.09375 151.5
[M]- 206.09485 151.5
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.