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]+ 184.13321 140.4
[M+Na]+ 206.11515 144.1
[M-H]- 182.11865 136.6
[M+NH4]+ 201.15975 164.3
[M+K]+ 222.08909 142.8
[M+H-H2O]+ 166.12319 136.4
[M+HCOO]- 228.12413 152.0
[M+CH3COO]- 242.13978 189.5
[M+Na-2H]- 204.10060 148.9
[M]+ 183.12538 140.1
[M]- 183.12648 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