CID 75409797

4-methoxybicyclo[2.2.2]octan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
COC12CCC(CC1)(CC2)N
InChI
InChI=1S/C9H17NO/c1-11-9-5-2-8(10,3-6-9)4-7-9/h2-7,10H2,1H3
InChIKey
HJIPZKFREVBQJY-UHFFFAOYSA-N
Compound name
4-methoxybicyclo[2.2.2]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

155.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.1
[M+Na]+ 178.12023 142.9
[M+NH4]+ 173.16483 148.2
[M+K]+ 194.09417 132.4
[M-H]- 154.12373 133.2
[M+Na-2H]- 176.10568 135.5
[M]+ 155.13046 135.3
[M]- 155.13156 135.3
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