CID 67062832

3-(1-methoxycyclobutyl)benzoicacid

Structural Information

Molecular Formula
C12H14O3
SMILES
COC1(CCC1)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C12H14O3/c1-15-12(6-3-7-12)10-5-2-4-9(8-10)11(13)14/h2,4-5,8H,3,6-7H2,1H3,(H,13,14)
InChIKey
FPEYBMUOGFYHRS-UHFFFAOYSA-N
Compound name
3-(1-methoxycyclobutyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

206.0943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 145.0
[M+Na]+ 229.08352 152.1
[M+NH4]+ 224.12812 150.2
[M+K]+ 245.05746 146.9
[M-H]- 205.08702 144.6
[M+Na-2H]- 227.06897 150.4
[M]+ 206.09375 144.7
[M]- 206.09485 144.7
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

No patent data available for this compound.