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]+ 156.138286 135.8
[M+Na]+ 178.120228 140.6
[M-H]- 154.123734 132.3
[M+NH4]+ 173.164833 164.4
[M+K]+ 194.094168 138.6
[M+H-H2O]+ 138.128270 131.4
[M+HCOO]- 200.129211 148.4
[M+CH3COO]- 214.144861 146.9
[M+Na-2H]- 176.105676 148.8
[M]+ 155.13046142 135.1
[M]- 155.13155858 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

literature stripe

Patent stripe

patents stripe