CID 161949

1-methoxy-1-methylcyclododecane

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CC1(CCCCCCCCCCC1)OC

InChI

InChI=1S/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3

InChIKey

QACBYNLZEUNZSC-UHFFFAOYSA-N

Compound name

1-methoxy-1-methylcyclododecane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 375
Patents: 212.21402 Da
Monoisotopic Mass: 5.3
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]+	213.221296	153.3
[M+Na]+	235.203238	155.2
[M-H]-	211.206744	153.1
[M+NH4]+	230.247843	170.8
[M+K]+	251.177178	155.0
[M+H-H2O]+	195.211280	150.7
[M+HCOO]-	257.212221	169.3
[M+CH3COO]-	271.227871	181.4
[M+Na-2H]-	233.188686	155.2
[M]+	212.21347142	144.0
[M]-	212.21456858	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe