CID 91996442

Dtxsid9051404

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCC1CC2CC1C(C2)OC

InChI

InChI=1S/C10H18O/c1-3-8-4-7-5-9(8)10(6-7)11-2/h7-10H,3-6H2,1-2H3

InChIKey

FWLNBJNNPNLPMQ-UHFFFAOYSA-N

Compound name

2-ethyl-6-methoxybicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 154.13577 Da
Monoisotopic Mass: 2.8
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]+	155.14305	134.5
[M+Na]+	177.12499	143.6
[M+NH4]+	172.16959	144.6
[M+K]+	193.09893	140.7
[M-H]-	153.12849	135.4
[M+Na-2H]-	175.11044	136.0
[M]+	154.13522	135.8
[M]-	154.13632	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.