CID 91508

Alpha-pinene oxide

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2CC1C3(C(C2)O3)C)C

InChI

InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3

InChIKey

NQFUSWIGRKFAHK-UHFFFAOYSA-N

Compound name

2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 36
References: 4213
Patents: 152.12012 Da
Monoisotopic Mass: 2.1
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	141.8
[M+Na]+	175.109338	151.0
[M-H]-	151.112844	146.0
[M+NH4]+	170.153943	159.1
[M+K]+	191.083278	152.9
[M+H-H2O]+	135.117380	133.6
[M+HCOO]-	197.118321	153.8
[M+CH3COO]-	211.133971	154.2
[M+Na-2H]-	173.094786	152.9
[M]+	152.11957142	157.0
[M]-	152.12066858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe