CID 12299772

Methyl 5-aminobicyclo[2.2.2]octane-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
COC(=O)C1CC2CCC1CC2N
InChI
InChI=1S/C10H17NO2/c1-13-10(12)8-4-7-3-2-6(8)5-9(7)11/h6-9H,2-5,11H2,1H3
InChIKey
HMSNDRWYYNZIOH-UHFFFAOYSA-N
Compound name
methyl 5-aminobicyclo[2.2.2]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 140.4
[M+Na]+ 206.115148 144.1
[M-H]- 182.118654 136.6
[M+NH4]+ 201.159753 164.3
[M+K]+ 222.089088 142.8
[M+H-H2O]+ 166.123190 136.4
[M+HCOO]- 228.124131 152.0
[M+CH3COO]- 242.139781 189.5
[M+Na-2H]- 204.100596 148.9
[M]+ 183.12538142 140.1
[M]- 183.12647858 140.1
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

patents stripe