CID 137942216

3-(2-methoxyethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

COCCC12CC(C1)(C2)C(=O)O

InChI

InChI=1S/C9H14O3/c1-12-3-2-8-4-9(5-8,6-8)7(10)11/h2-6H2,1H3,(H,10,11)

InChIKey

DCNRHZVPDJZTCK-UHFFFAOYSA-N

Compound name

3-(2-methoxyethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.0943 Da
Monoisotopic Mass: 0.5
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	156.0
[M+Na]+	193.083518	159.0
[M-H]-	169.087024	158.1
[M+NH4]+	188.128123	161.6
[M+K]+	209.057458	164.8
[M+H-H2O]+	153.091560	143.6
[M+HCOO]-	215.092501	167.5
[M+CH3COO]-	229.108151	206.4
[M+Na-2H]-	191.068966	161.5
[M]+	170.09375142	181.6
[M]-	170.09484858	181.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.