CID 131146655

1936366-29-8

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1CC(OC1)(CC2CC2)C(=O)O

InChI

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

InChIKey

MRZAHQHLXGCACM-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethyl)oxolane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 1.5
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	142.5
[M-H]-	169.087024	141.4
[M+NH4]+	188.128123	151.7
[M+K]+	209.057458	142.2
[M+H-H2O]+	153.091560	130.3
[M+HCOO]-	215.092501	154.4
[M+CH3COO]-	229.108151	177.2
[M+Na-2H]-	191.068966	140.0
[M]+	170.09375142	136.1
[M]-	170.09484858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.