CID 13972196

5034-03-7

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC=CC=C1[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C11H12O3/c1-14-10-5-3-2-4-7(10)8-6-9(8)11(12)13/h2-5,8-9H,6H2,1H3,(H,12,13)/t8-,9+/m0/s1
InChIKey
QWTOSVJYKMLFEP-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(2-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 137.7
[M+Na]+ 215.06786 147.4
[M-H]- 191.07136 144.5
[M+NH4]+ 210.11246 152.0
[M+K]+ 231.04180 144.5
[M+H-H2O]+ 175.07590 131.6
[M+HCOO]- 237.07684 160.4
[M+CH3COO]- 251.09249 184.9
[M+Na-2H]- 213.05331 142.5
[M]+ 192.07809 141.4
[M]- 192.07919 141.4
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