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

3
Annotation Hits: 0
References: 197
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	146.4
[M+Na]+	203.14063	153.0
[M-H]-	179.14413	149.0
[M+NH4]+	198.18523	172.0
[M+K]+	219.11457	150.7
[M+H-H2O]+	163.14867	142.4
[M+HCOO]-	225.14961	166.0
[M+CH3COO]-	239.16526	184.2
[M+Na-2H]-	201.12608	146.6
[M]+	180.15086	145.9
[M]-	180.15196	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe