CID 53756778

80901-68-4

Structural Information

Molecular Formula

C₁₂H₂₀O

SMILES

CC=C1CC2CC1C(C2)OC(C)C

InChI

InChI=1S/C12H20O/c1-4-10-5-9-6-11(10)12(7-9)13-8(2)3/h4,8-9,11-12H,5-7H2,1-3H3

InChIKey

DFAHIMHECXLSIS-UHFFFAOYSA-N

Compound name

2-ethylidene-6-propan-2-yloxybicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 196
Patents: 180.15141 Da
Monoisotopic Mass: 2.5
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]+	181.15869	143.4
[M+Na]+	203.14063	151.8
[M+NH4]+	198.18523	152.8
[M+K]+	219.11457	149.1
[M-H]-	179.14413	143.7
[M+Na-2H]-	201.12608	143.9
[M]+	180.15086	144.4
[M]-	180.15196	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe