CID 85575

1-(4-methoxyphenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
COC1=CC=C(C=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C11H12O3/c1-14-9-4-2-8(3-5-9)11(6-7-11)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
WCPFQQHADRJANG-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

712
Patents

192.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 139.4
[M+Na]+ 215.06786 149.0
[M-H]- 191.07136 146.3
[M+NH4]+ 210.11246 155.4
[M+K]+ 231.04180 147.1
[M+H-H2O]+ 175.07590 134.2
[M+HCOO]- 237.07684 161.9
[M+CH3COO]- 251.09249 183.3
[M+Na-2H]- 213.05331 145.9
[M]+ 192.07809 143.2
[M]- 192.07919 143.2
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