CID 103690

Decahydro-1,4:5,8-dimethanonaphthalene-2-methanamine

Structural Information

Molecular Formula

C₁₃H₂₁N

SMILES

C1CC2CC1C3C2C4CC3CC4CN

InChI

InChI=1S/C13H21N/c14-6-10-4-9-5-11(10)13-8-2-1-7(3-8)12(9)13/h7-13H,1-6,14H2

InChIKey

IEYQVYKGCHQONX-UHFFFAOYSA-N

Compound name

4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 191.1674 Da
Monoisotopic Mass: 2.7
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]+	192.174676	149.2
[M+Na]+	214.156618	155.8
[M-H]-	190.160124	152.3
[M+NH4]+	209.201223	179.1
[M+K]+	230.130558	151.9
[M+H-H2O]+	174.164660	146.7
[M+HCOO]-	236.165601	167.4
[M+CH3COO]-	250.181251	161.5
[M+Na-2H]-	212.142066	147.8
[M]+	191.16685142	146.2
[M]-	191.16794858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe