CID 522514

7392-19-0

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(CCCC(O1)(C)C=C)C

InChI

InChI=1S/C10H18O/c1-5-10(4)8-6-7-9(2,3)11-10/h5H,1,6-8H2,2-4H3

InChIKey

NETOHYFTCONTDT-UHFFFAOYSA-N

Compound name

2-ethenyl-2,6,6-trimethyloxane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 412
Patents: 154.13577 Da
Monoisotopic Mass: 2.4
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]+	155.14305	131.7
[M+Na]+	177.12499	138.7
[M-H]-	153.12849	136.0
[M+NH4]+	172.16959	155.7
[M+K]+	193.09893	138.9
[M+H-H2O]+	137.13303	128.1
[M+HCOO]-	199.13397	151.2
[M+CH3COO]-	213.14962	177.0
[M+Na-2H]-	175.11044	139.3
[M]+	154.13522	130.1
[M]-	154.13632	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe