CID 26396

14049-11-7

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC1(C(CCC(O1)(C)C=C)O)C

InChI

InChI=1S/C10H18O2/c1-5-10(4)7-6-8(11)9(2,3)12-10/h5,8,11H,1,6-7H2,2-4H3

InChIKey

BCTBAGTXFYWYMW-UHFFFAOYSA-N

Compound name

6-ethenyl-2,2,6-trimethyloxan-3-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 455
Patents: 170.13068 Da
Monoisotopic Mass: 1.4
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]+	171.13796	134.9
[M+Na]+	193.11990	142.5
[M-H]-	169.12340	138.1
[M+NH4]+	188.16450	157.8
[M+K]+	209.09384	142.2
[M+H-H2O]+	153.12794	131.8
[M+HCOO]-	215.12888	153.1
[M+CH3COO]-	229.14453	177.6
[M+Na-2H]-	191.10535	141.6
[M]+	170.13013	133.4
[M]-	170.13123	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe