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

246
Patents

183.12593 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 143.0
[M+Na]+ 206.115148 147.3
[M-H]- 182.118654 139.2
[M+NH4]+ 201.159753 170.3
[M+K]+ 222.089088 145.6
[M+H-H2O]+ 166.123190 138.7
[M+HCOO]- 228.124131 154.4
[M+CH3COO]- 242.139781 153.4
[M+Na-2H]- 204.100596 154.4
[M]+ 183.12538142 142.7
[M]- 183.12647858 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