CID 74789512

4-(3-methyloxetan-3-yl)benzoic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
CC1(COC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H12O3/c1-11(6-14-7-11)9-4-2-8(3-5-9)10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
BLUZXLDFYTYRSO-UHFFFAOYSA-N
Compound name
4-(3-methyloxetan-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 147.1
[M+NH4]+ 210.11246 144.8
[M+K]+ 231.04180 142.5
[M-H]- 191.07136 140.3
[M+Na-2H]- 213.05331 144.7
[M]+ 192.07809 139.7
[M]- 192.07919 139.7
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

patents stripe