CID 492923

(6s,7r)-n-ethyl-5,6,7-trimethyl-bicyclo[3.2.1]octan-8-amine

Structural Information

Molecular Formula
C13H25N
SMILES
CCNC1C2CCCC1([C@H]([C@H]2C)C)C
InChI
InChI=1S/C13H25N/c1-5-14-12-11-7-6-8-13(12,4)10(3)9(11)2/h9-12,14H,5-8H2,1-4H3/t9-,10+,11?,12?,13?/m1/s1
InChIKey
ACQHQUCLLNLPAR-JMRCTCEDSA-N
Compound name
(6R,7S)-N-ethyl-1,6,7-trimethylbicyclo[3.2.1]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.1987 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.20598 147.8
[M+Na]+ 218.18792 154.1
[M-H]- 194.19142 150.3
[M+NH4]+ 213.23252 173.1
[M+K]+ 234.16186 151.1
[M+H-H2O]+ 178.19596 143.5
[M+HCOO]- 240.19690 166.5
[M+CH3COO]- 254.21255 191.3
[M+Na-2H]- 216.17337 151.0
[M]+ 195.19815 145.4
[M]- 195.19925 145.4
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.