CID 13972235

34919-31-8

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC=CC(=C1)[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C11H12O3/c1-14-8-4-2-3-7(5-8)9-6-10(9)11(12)13/h2-5,9-10H,6H2,1H3,(H,12,13)/t9-,10+/m0/s1
InChIKey
SEQTZPLHSZFWIY-VHSXEESVSA-N
Compound name
(1R,2R)-2-(3-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

192.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 142.1
[M+Na]+ 215.06786 155.8
[M+NH4]+ 210.11246 150.6
[M+K]+ 231.04180 151.7
[M-H]- 191.07136 151.4
[M+Na-2H]- 213.05331 151.1
[M]+ 192.07809 147.7
[M]- 192.07919 147.7
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

patents stripe