CID 511452

Decahydro-1,6-methanonaphthalene

Structural Information

Molecular Formula

C₁₁H₁₈

SMILES

C1CC2CC3CCC2C(C1)C3

InChI

InChI=1S/C11H18/c1-2-9-6-8-4-5-11(9)10(3-1)7-8/h8-11H,1-7H2

InChIKey

MCEWXTWROUCMOU-UHFFFAOYSA-N

Compound name

tricyclo[5.3.1.03,8]undecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 45
Patents: 150.14085 Da
Monoisotopic Mass: 4.4
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]+	151.14813	129.8
[M+Na]+	173.13007	132.0
[M-H]-	149.13357	128.2
[M+NH4]+	168.17467	155.2
[M+K]+	189.10401	129.3
[M+H-H2O]+	133.13811	124.1
[M+HCOO]-	195.13905	139.7
[M+CH3COO]-	209.15470	140.3
[M+Na-2H]-	171.11552	139.7
[M]+	150.14030	125.6
[M]-	150.14140	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe