CID 61275

Nerol oxide

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CCOC(C1)C=C(C)C

InChI

InChI=1S/C10H16O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,6,10H,5,7H2,1-3H3

InChIKey

FRISMOQHTLZZRP-UHFFFAOYSA-N

Compound name

4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 659
Patents: 152.12012 Da
Monoisotopic Mass: 2.2
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]+	153.127396	133.8
[M+Na]+	175.109338	139.9
[M-H]-	151.112844	137.8
[M+NH4]+	170.153943	154.0
[M+K]+	191.083278	139.7
[M+H-H2O]+	135.117380	128.6
[M+HCOO]-	197.118321	153.8
[M+CH3COO]-	211.133971	177.5
[M+Na-2H]-	173.094786	138.7
[M]+	152.11957142	132.3
[M]-	152.12066858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe