CID 71432893

1638764-75-6

Structural Information

Molecular Formula

C₁₃H₁₄O₄

SMILES

C1C(CC1C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14O4/c14-12(15)10-6-11(7-10)13(16)17-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)

InChIKey

LOLMPSNXYJYMDY-UHFFFAOYSA-N

Compound name

3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 234.0892 Da
Monoisotopic Mass: 1.6
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]+	235.096476	149.5
[M+Na]+	257.078418	153.5
[M-H]-	233.081924	154.2
[M+NH4]+	252.123023	159.5
[M+K]+	273.052358	155.0
[M+H-H2O]+	217.086460	137.4
[M+HCOO]-	279.087401	168.6
[M+CH3COO]-	293.103051	190.8
[M+Na-2H]-	255.063866	151.5
[M]+	234.08865142	157.9
[M]-	234.08974858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe