CID 10702898

34919-28-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
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

literature stripe

Patent stripe

patents stripe