CID 53426661

Methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)C12CCC(CC1)(CC2)N
InChI
InChI=1S/C10H17NO2/c1-13-8(12)9-2-5-10(11,6-3-9)7-4-9/h2-7,11H2,1H3
InChIKey
HDIKFAFEMDBXOS-UHFFFAOYSA-N
Compound name
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

183.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 143.0
[M+Na]+ 206.11515 147.3
[M-H]- 182.11865 139.2
[M+NH4]+ 201.15975 170.3
[M+K]+ 222.08909 145.6
[M+H-H2O]+ 166.12319 138.7
[M+HCOO]- 228.12413 154.4
[M+CH3COO]- 242.13978 153.4
[M+Na-2H]- 204.10060 154.4
[M]+ 183.12538 142.7
[M]- 183.12648 142.7
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

patents stripe