CID 3023091

(1-methoxy-1-methylethyl)cycloheptane

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CC(C)(C1CCCCCC1)OC

InChI

InChI=1S/C11H22O/c1-11(2,12-3)10-8-6-4-5-7-9-10/h10H,4-9H2,1-3H3

InChIKey

SGSKWKGPQDARMQ-UHFFFAOYSA-N

Compound name

2-methoxypropan-2-ylcycloheptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.16707 Da
Monoisotopic Mass: 3.6
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]+	171.174346	135.0
[M+Na]+	193.156288	137.0
[M-H]-	169.159794	138.5
[M+NH4]+	188.200893	153.9
[M+K]+	209.130228	140.5
[M+H-H2O]+	153.164330	130.7
[M+HCOO]-	215.165271	152.6
[M+CH3COO]-	229.180921	182.8
[M+Na-2H]-	191.141736	139.8
[M]+	170.16652142	129.3
[M]-	170.16761858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.