CID 84765756

1780815-64-6

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1CC1C2CCOCC2C(=O)O

InChI

InChI=1S/C9H14O3/c10-9(11)8-5-12-4-3-7(8)6-1-2-6/h6-8H,1-5H2,(H,10,11)

InChIKey

XABXFDBQXHFBTO-UHFFFAOYSA-N

Compound name

4-cyclopropyloxane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 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]+	171.101576	134.8
[M+Na]+	193.083518	141.8
[M-H]-	169.087024	141.3
[M+NH4]+	188.128123	148.3
[M+K]+	209.057458	141.1
[M+H-H2O]+	153.091560	128.7
[M+HCOO]-	215.092501	152.9
[M+CH3COO]-	229.108151	179.1
[M+Na-2H]-	191.068966	139.4
[M]+	170.09375142	134.1
[M]-	170.09484858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.