CID 449293

Tropine

Structural Information

Molecular Formula
C8H15NO
SMILES
CN1[C@@H]2CC[C@H]1CC(C2)O
InChI
InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8?
InChIKey
CYHOMWAPJJPNMW-DHBOJHSNSA-N
Compound name
(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

135
References

9564
Patents

141.11537 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 131.0
[M+Na]+ 164.10459 137.9
[M-H]- 140.10809 130.9
[M+NH4]+ 159.14919 154.3
[M+K]+ 180.07853 135.9
[M+H-H2O]+ 124.11263 126.0
[M+HCOO]- 186.11357 147.9
[M+CH3COO]- 200.12922 172.7
[M+Na-2H]- 162.09004 135.4
[M]+ 141.11482 127.1
[M]- 141.11592 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe