CID 23454481

3-methyl-5-norbornenyldimethyldihydropyran

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC1C=C(CC(O1)C2C(C3CC2C=C3)C)C

InChI

InChI=1S/C15H22O/c1-9-6-10(2)16-14(7-9)15-11(3)12-4-5-13(15)8-12/h4-6,10-15H,7-8H2,1-3H3

InChIKey

RAVXOXBLBRYGML-UHFFFAOYSA-N

Compound name

4,6-dimethyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 218.16707 Da
Monoisotopic Mass: 3.3
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]+	219.174346	152.2
[M+Na]+	241.156288	159.8
[M-H]-	217.159794	159.1
[M+NH4]+	236.200893	175.3
[M+K]+	257.130228	157.3
[M+H-H2O]+	201.164330	148.0
[M+HCOO]-	263.165271	171.0
[M+CH3COO]-	277.180921	165.4
[M+Na-2H]-	239.141736	152.6
[M]+	218.16652142	151.8
[M]-	218.16761858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe