CID 22484226

100683-08-7

Structural Information

Molecular Formula

C₅H₈O₃

SMILES

COC1(CC1)C(=O)O

InChI

InChI=1S/C5H8O3/c1-8-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)

InChIKey

HPOWDCXQUZLJRQ-UHFFFAOYSA-N

Compound name

1-methoxycyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 413
Patents: 116.04734 Da
Monoisotopic Mass: 0.0
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]+	117.054616	122.3
[M+Na]+	139.036558	132.1
[M-H]-	115.040064	126.3
[M+NH4]+	134.081163	141.2
[M+K]+	155.010498	131.8
[M+H-H2O]+	99.044600	118.4
[M+HCOO]-	161.045541	144.7
[M+CH3COO]-	175.061191	169.3
[M+Na-2H]-	137.022006	129.8
[M]+	116.04679142	126.0
[M]-	116.04788858	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe