CID 12757488

1-methylcyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(CCC1)C(=O)O

InChI

InChI=1S/C6H10O2/c1-6(5(7)8)3-2-4-6/h2-4H2,1H3,(H,7,8)

InChIKey

GCZGQVRHZLOCDD-UHFFFAOYSA-N

Compound name

1-methylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 734
Patents: 114.06808 Da
Monoisotopic Mass: 1.1
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]+	115.07536	123.8
[M+Na]+	137.05730	129.3
[M+NH4]+	132.10190	129.3
[M+K]+	153.03124	125.1
[M-H]-	113.06080	121.3
[M+Na-2H]-	135.04275	127.1
[M]+	114.06753	122.6
[M]-	114.06863	122.6

Literature stripe

literature stripe

Patent stripe

patents stripe