CID 16769946

50921-37-4

Structural Information

Molecular Formula

C₁₂H₁₄O₃

SMILES

COC1=CC=C(C=C1)C2(CCC2)C(=O)O

InChI

InChI=1S/C12H14O3/c1-15-10-5-3-9(4-6-10)12(11(13)14)7-2-8-12/h3-6H,2,7-8H2,1H3,(H,13,14)

InChIKey

FKPWMQWXYOZELT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 206.0943 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	207.101576	143.7
[M+Na]+	229.083518	149.5
[M-H]-	205.087024	149.2
[M+NH4]+	224.128123	157.3
[M+K]+	245.057458	150.7
[M+H-H2O]+	189.091560	133.4
[M+HCOO]-	251.092501	163.9
[M+CH3COO]-	265.108151	186.0
[M+Na-2H]-	227.068966	148.6
[M]+	206.09375142	152.3
[M]-	206.09484858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe