CID 68653586

1447944-17-3

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1COCCC1C2(CC2)C(=O)O

InChI

InChI=1S/C9H14O3/c10-8(11)9(3-4-9)7-1-5-12-6-2-7/h7H,1-6H2,(H,10,11)

InChIKey

SRYVPEYICKYUPP-UHFFFAOYSA-N

Compound name

1-(oxan-4-yl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 170.0943 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]+	171.10158	136.3
[M+Na]+	193.08352	143.0
[M-H]-	169.08702	142.7
[M+NH4]+	188.12812	151.3
[M+K]+	209.05746	143.4
[M+H-H2O]+	153.09156	131.0
[M+HCOO]-	215.09250	154.0
[M+CH3COO]-	229.10815	177.6
[M+Na-2H]-	191.06897	142.5
[M]+	170.09375	135.6
[M]-	170.09485	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe