CID 492937

(4r,6s,7r)-4-isopropyl-6,7-dimethyl-bicyclo[3.2.1]octan-8-amine

Structural Information

Molecular Formula
C13H25N
SMILES
C[C@@H]1[C@@H](C2[C@H](CCC1C2N)C(C)C)C
InChI
InChI=1S/C13H25N/c1-7(2)10-5-6-11-8(3)9(4)12(10)13(11)14/h7-13H,5-6,14H2,1-4H3/t8-,9+,10-,11?,12?,13?/m1/s1
InChIKey
GSWQIPVKLGHYIV-PQGPYLLQSA-N
Compound name
(2R,6R,7S)-6,7-dimethyl-2-propan-2-ylbicyclo[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 149.9
[M+Na]+ 218.187918 155.8
[M-H]- 194.191424 152.0
[M+NH4]+ 213.232523 173.1
[M+K]+ 234.161858 153.0
[M+H-H2O]+ 178.195960 145.5
[M+HCOO]- 240.196901 166.9
[M+CH3COO]- 254.212551 193.2
[M+Na-2H]- 216.173366 149.0
[M]+ 195.19815142 146.0
[M]- 195.19924858 146.0
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.