CID 47796

3-ethylcyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCC1CC(C1)C(=O)O

InChI

InChI=1S/C7H12O2/c1-2-5-3-6(4-5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)

InChIKey

KHJZSHCMTBYQFG-UHFFFAOYSA-N

Compound name

3-ethylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 128.08372 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]+	129.09100	127.3
[M+Na]+	151.07294	132.8
[M+NH4]+	146.11754	131.3
[M+K]+	167.04688	130.3
[M-H]-	127.07644	124.8
[M+Na-2H]-	149.05839	128.6
[M]+	128.08317	125.9
[M]-	128.08427	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe