CID 492919

(6s,7r)-6,7-diethylbicyclo[3.2.1]octan-8-amine

Structural Information

Molecular Formula
C12H23N
SMILES
CC[C@@H]1[C@@H](C2CCCC1C2N)CC
InChI
InChI=1S/C12H23N/c1-3-8-9(4-2)11-7-5-6-10(8)12(11)13/h8-12H,3-7,13H2,1-2H3/t8-,9+,10?,11?,12?
InChIKey
MXFGHFLXIJONJN-MXSCYXCISA-N
Compound name
(6S,7R)-6,7-diethylbicyclo[3.2.1]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 144.9
[M+Na]+ 204.172258 150.6
[M-H]- 180.175764 146.8
[M+NH4]+ 199.216863 168.5
[M+K]+ 220.146198 147.6
[M+H-H2O]+ 164.180300 140.2
[M+HCOO]- 226.181241 163.4
[M+CH3COO]- 240.196891 188.1
[M+Na-2H]- 202.157706 146.5
[M]+ 181.18249142 140.9
[M]- 181.18358858 140.9
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.