CID 112491

6-methoxy-2,6-dimethylheptanal

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC(CCCC(C)(C)OC)C=O

InChI

InChI=1S/C10H20O2/c1-9(8-11)6-5-7-10(2,3)12-4/h8-9H,5-7H2,1-4H3

InChIKey

QMXBURPYNWBMJR-UHFFFAOYSA-N

Compound name

6-methoxy-2,6-dimethylheptanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 968
Patents: 172.14633 Da
Monoisotopic Mass: 1.8
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]+	173.15361	141.3
[M+Na]+	195.13555	150.6
[M+NH4]+	190.18015	148.3
[M+K]+	211.10949	145.7
[M-H]-	171.13905	139.7
[M+Na-2H]-	193.12100	144.0
[M]+	172.14578	142.0
[M]-	172.14688	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe