CID 492918

6,7-diethylbicyclo[3.2.1]oct-6-en-8-amine

Structural Information

Molecular Formula
C12H21N
SMILES
CCC1=C(C2CCCC1C2N)CC
InChI
InChI=1S/C12H21N/c1-3-8-9(4-2)11-7-5-6-10(8)12(11)13/h10-12H,3-7,13H2,1-2H3
InChIKey
XYZBSLZUIJTQCV-UHFFFAOYSA-N
Compound name
6,7-diethylbicyclo[3.2.1]oct-6-en-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 143.1
[M+Na]+ 202.15662 149.9
[M-H]- 178.16012 145.4
[M+NH4]+ 197.20122 166.8
[M+K]+ 218.13056 146.6
[M+H-H2O]+ 162.16466 138.3
[M+HCOO]- 224.16560 163.0
[M+CH3COO]- 238.18125 187.6
[M+Na-2H]- 200.14207 145.7
[M]+ 179.16685 140.6
[M]- 179.16795 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.