CID 12663431

2-methoxy-2-methylheptane

Structural Information

Molecular Formula

C₉H₂₀O

SMILES

CCCCCC(C)(C)OC

InChI

InChI=1S/C9H20O/c1-5-6-7-8-9(2,3)10-4/h5-8H2,1-4H3

InChIKey

KJRACWZCOVHBQU-UHFFFAOYSA-N

Compound name

2-methoxy-2-methylheptane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 120
Patents: 144.15141 Da
Monoisotopic Mass: 3.0
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]+	145.158686	135.4
[M+Na]+	167.140628	141.9
[M-H]-	143.144134	135.6
[M+NH4]+	162.185233	157.4
[M+K]+	183.114568	141.9
[M+H-H2O]+	127.148670	131.3
[M+HCOO]-	189.149611	157.0
[M+CH3COO]-	203.165261	178.8
[M+Na-2H]-	165.126076	141.6
[M]+	144.15086142	138.9
[M]-	144.15195858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe