CID 21097237

865798-44-3

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC1(C(=O)O)OCC2=CC=CC=C2
InChI
InChI=1S/C11H12O3/c12-10(13)11(6-7-11)14-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChIKey
FTUWSHSEDSWQDP-UHFFFAOYSA-N
Compound name
1-phenylmethoxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

192.07864 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 145.3
[M+Na]+ 215.06786 158.5
[M+NH4]+ 210.11246 155.2
[M+K]+ 231.04180 152.3
[M-H]- 191.07136 154.6
[M+Na-2H]- 213.05331 156.0
[M]+ 192.07809 151.0
[M]- 192.07919 151.0
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