CID 122504

29362-74-1

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1C2CC(C2(C)C)C3C1O3

InChI

InChI=1S/C10H16O/c1-5-6-4-7(10(6,2)3)9-8(5)11-9/h5-9H,4H2,1-3H3

InChIKey

GTLIZHGJEKYQFS-UHFFFAOYSA-N

Compound name

5,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 152.12012 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]+	153.127396	139.5
[M+Na]+	175.109338	148.6
[M-H]-	151.112844	143.6
[M+NH4]+	170.153943	155.2
[M+K]+	191.083278	150.0
[M+H-H2O]+	135.117380	130.7
[M+HCOO]-	197.118321	151.9
[M+CH3COO]-	211.133971	151.9
[M+Na-2H]-	173.094786	149.4
[M]+	152.11957142	154.6
[M]-	152.12066858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe