CID 549742

Carvenone oxide

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1CCC2(C(C1=O)O2)C(C)C

InChI

InChI=1S/C10H16O2/c1-6(2)10-5-4-7(3)8(11)9(10)12-10/h6-7,9H,4-5H2,1-3H3

InChIKey

ROVXCLHKSQINCN-UHFFFAOYSA-N

Compound name

3-methyl-6-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.11504 Da
Monoisotopic Mass: 1.9
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]+	169.122316	137.4
[M+Na]+	191.104258	147.0
[M-H]-	167.107764	143.7
[M+NH4]+	186.148863	155.2
[M+K]+	207.078198	146.9
[M+H-H2O]+	151.112300	132.7
[M+HCOO]-	213.113241	155.4
[M+CH3COO]-	227.128891	184.6
[M+Na-2H]-	189.089706	143.6
[M]+	168.11449142	140.7
[M]-	168.11558858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe