CID 14693477

89533-69-7

Structural Information

Molecular Formula

C₆H₈O₂

SMILES

CC1CC(=C1)C(=O)O

InChI

InChI=1S/C6H8O2/c1-4-2-5(3-4)6(7)8/h2,4H,3H2,1H3,(H,7,8)

InChIKey

KEPOHQOWBYUEQH-UHFFFAOYSA-N

Compound name

3-methylcyclobutene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1429
Patents: 112.05243 Da
Monoisotopic Mass: 1.0
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]+	113.059706	118.9
[M+Na]+	135.041648	125.9
[M-H]-	111.045154	121.8
[M+NH4]+	130.086253	134.6
[M+K]+	151.015588	128.3
[M+H-H2O]+	95.049690	109.6
[M+HCOO]-	157.050631	140.6
[M+CH3COO]-	171.066281	170.9
[M+Na-2H]-	133.027096	124.3
[M]+	112.05188142	127.3
[M]-	112.05297858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe