CID 117602168

4-methoxybicyclo[2.2.1]heptane-1-carbaldehyde

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

COC12CCC(C1)(CC2)C=O

InChI

InChI=1S/C9H14O2/c1-11-9-4-2-8(6-9,7-10)3-5-9/h7H,2-6H2,1H3

InChIKey

WLGDJQCHBCNHTP-UHFFFAOYSA-N

Compound name

4-methoxybicyclo[2.2.1]heptane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.09938 Da
Monoisotopic Mass: 0.6
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]+	155.10666	135.1
[M+Na]+	177.08860	143.3
[M+NH4]+	172.13320	147.3
[M+K]+	193.06254	137.3
[M-H]-	153.09210	135.0
[M+Na-2H]-	175.07405	139.6
[M]+	154.09883	136.3
[M]-	154.09993	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe