CID 15775107

Myrtenyl methyl ether

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1(C2CC=C(C1C2)COC)C

InChI

InChI=1S/C11H18O/c1-11(2)9-5-4-8(7-12-3)10(11)6-9/h4,9-10H,5-7H2,1-3H3

InChIKey

GMYAZJHVKQKHSD-UHFFFAOYSA-N

Compound name

2-(methoxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 166.13577 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]+	167.14305	147.3
[M+Na]+	189.12499	153.8
[M-H]-	165.12849	147.2
[M+NH4]+	184.16959	168.2
[M+K]+	205.09893	154.7
[M+H-H2O]+	149.13303	139.3
[M+HCOO]-	211.13397	161.9
[M+CH3COO]-	225.14962	189.3
[M+Na-2H]-	187.11044	157.1
[M]+	166.13522	161.0
[M]-	166.13632	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe