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]+ 196.205976 147.8
[M+Na]+ 218.187918 154.1
[M-H]- 194.191424 150.3
[M+NH4]+ 213.232523 173.1
[M+K]+ 234.161858 151.1
[M+H-H2O]+ 178.195960 143.5
[M+HCOO]- 240.196901 166.5
[M+CH3COO]- 254.212551 191.3
[M+Na-2H]- 216.173366 151.0
[M]+ 195.19815142 145.4
[M]- 195.19924858 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.