CID 155234176

2518152-53-7

Structural Information

Molecular Formula

C₈H₁₂O₃

SMILES

C1CC1OC2CC(C2)C(=O)O

InChI

InChI=1S/C8H12O3/c9-8(10)5-3-7(4-5)11-6-1-2-6/h5-7H,1-4H2,(H,9,10)

InChIKey

KVQMLESHCXNVKZ-UHFFFAOYSA-N

Compound name

3-cyclopropyloxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 156.07864 Da
Monoisotopic Mass: 0.7
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]+	157.08592	127.7
[M+Na]+	179.06786	134.7
[M-H]-	155.07136	133.9
[M+NH4]+	174.11246	137.1
[M+K]+	195.04180	135.9
[M+H-H2O]+	139.07590	117.3
[M+HCOO]-	201.07684	148.0
[M+CH3COO]-	215.09249	181.2
[M+Na-2H]-	177.05331	132.0
[M]+	156.07809	137.8
[M]-	156.07919	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe