CID 76333

2986-50-7

Structural Information

Molecular Formula

C₁₆H₃₂O

SMILES

CC(C)COC1CCCCCCCCCCC1

InChI

InChI=1S/C16H32O/c1-15(2)14-17-16-12-10-8-6-4-3-5-7-9-11-13-16/h15-16H,3-14H2,1-2H3

InChIKey

ZKLBAFOZTKRQFK-UHFFFAOYSA-N

Compound name

2-methylpropoxycyclododecane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 240.24532 Da
Monoisotopic Mass: 6.5
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]+	241.252596	161.8
[M+Na]+	263.234538	161.6
[M-H]-	239.238044	160.9
[M+NH4]+	258.279143	176.0
[M+K]+	279.208478	161.1
[M+H-H2O]+	223.242580	158.3
[M+HCOO]-	285.243521	176.1
[M+CH3COO]-	299.259171	188.6
[M+Na-2H]-	261.219986	160.5
[M]+	240.24477142	152.3
[M]-	240.24586858	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe