CID 56842534

31996-78-8

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CCC12CC3CC1C2C3OC

InChI

InChI=1S/C10H16O/c1-3-10-5-6-4-7(10)8(10)9(6)11-2/h6-9H,3-5H2,1-2H3

InChIKey

MTDYTPWUZGEKKE-UHFFFAOYSA-N

Compound name

1-ethyl-3-methoxytricyclo[2.2.1.02,6]heptane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 88
Patents: 152.12012 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]+	153.127396	132.6
[M+Na]+	175.109338	143.1
[M-H]-	151.112844	135.4
[M+NH4]+	170.153943	160.0
[M+K]+	191.083278	139.2
[M+H-H2O]+	135.117380	130.3
[M+HCOO]-	197.118321	150.2
[M+CH3COO]-	211.133971	146.6
[M+Na-2H]-	173.094786	139.0
[M]+	152.11957142	142.0
[M]-	152.12066858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe