CID 27866

16409-43-1

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1CCOC(C1)C=C(C)C

InChI

InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3

InChIKey

CZCBTSFUTPZVKJ-UHFFFAOYSA-N

Compound name

4-methyl-2-(2-methylprop-1-enyl)oxane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 25
References: 12714
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.143046	135.9
[M+Na]+	177.124988	140.9
[M-H]-	153.128494	139.4
[M+NH4]+	172.169593	155.8
[M+K]+	193.098928	140.9
[M+H-H2O]+	137.133030	130.7
[M+HCOO]-	199.133971	154.3
[M+CH3COO]-	213.149621	177.9
[M+Na-2H]-	175.110436	139.8
[M]+	154.13522142	132.9
[M]-	154.13631858	132.9

Literature stripe

literature stripe

Patent stripe

patents stripe