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
(6R,7S)-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]+ 182.19032 144.9
[M+Na]+ 204.17226 150.6
[M-H]- 180.17576 146.8
[M+NH4]+ 199.21686 168.5
[M+K]+ 220.14620 147.6
[M+H-H2O]+ 164.18030 140.2
[M+HCOO]- 226.18124 163.4
[M+CH3COO]- 240.19689 188.1
[M+Na-2H]- 202.15771 146.5
[M]+ 181.18249 140.9
[M]- 181.18359 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.