CID 121604684

Methyl 2-aminobicyclo[2.2.2]octane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)C1(CC2CCC1CC2)N
InChI
InChI=1S/C10H17NO2/c1-13-9(12)10(11)6-7-2-4-8(10)5-3-7/h7-8H,2-6,11H2,1H3
InChIKey
PZFBPHZNOCSAAB-UHFFFAOYSA-N
Compound name
methyl 2-aminobicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 141.6
[M+Na]+ 206.115148 145.6
[M-H]- 182.118654 137.8
[M+NH4]+ 201.159753 167.3
[M+K]+ 222.089088 144.0
[M+H-H2O]+ 166.123190 137.5
[M+HCOO]- 228.124131 153.1
[M+CH3COO]- 242.139781 187.9
[M+Na-2H]- 204.100596 151.6
[M]+ 183.12538142 141.3
[M]- 183.12647858 141.3
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.