CID 121721

Octahydrodimethyl-4,7-methano-1h-indene

Structural Information

Molecular Formula

C₁₂H₂₀

SMILES

CC1C(C2CC1C3C2CCC3)C

InChI

InChI=1S/C12H20/c1-7-8(2)12-6-11(7)9-4-3-5-10(9)12/h7-12H,3-6H2,1-2H3

InChIKey

XGTOHMPHWPGRTK-UHFFFAOYSA-N

Compound name

8,9-dimethyltricyclo[5.2.1.02,6]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 290
Patents: 164.1565 Da
Monoisotopic Mass: 4.3
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]+	165.163776	143.3
[M+Na]+	187.145718	150.9
[M-H]-	163.149224	147.2
[M+NH4]+	182.190323	172.3
[M+K]+	203.119658	147.9
[M+H-H2O]+	147.153760	140.2
[M+HCOO]-	209.154701	162.6
[M+CH3COO]-	223.170351	156.8
[M+Na-2H]-	185.131166	142.9
[M]+	164.15595142	141.3
[M]-	164.15704858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe