CID 526973

Lilac alcohol

Structural Information

Molecular Formula

C₁₀H₁₈O₂

SMILES

CC(CO)C1CCC(O1)(C)C=C

InChI

InChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3

InChIKey

VUEGXHXUMOZKKN-UHFFFAOYSA-N

Compound name

2-(5-ethenyl-5-methyloxolan-2-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 170.13068 Da
Monoisotopic Mass: 1.6
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	139.0
[M+Na]+	193.11990	145.3
[M-H]-	169.12340	141.6
[M+NH4]+	188.16450	161.3
[M+K]+	209.09384	144.8
[M+H-H2O]+	153.12794	135.3
[M+HCOO]-	215.12888	158.2
[M+CH3COO]-	229.14453	177.2
[M+Na-2H]-	191.10535	142.4
[M]+	170.13013	138.0
[M]-	170.13123	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe