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

35
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 135.8
[M+Na]+ 178.12023 140.6
[M-H]- 154.12373 132.3
[M+NH4]+ 173.16483 164.4
[M+K]+ 194.09417 138.6
[M+H-H2O]+ 138.12827 131.4
[M+HCOO]- 200.12921 148.4
[M+CH3COO]- 214.14486 146.9
[M+Na-2H]- 176.10568 148.8
[M]+ 155.13046 135.1
[M]- 155.13156 135.1
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.