CID 137965804

2-(aminomethyl)bicyclo[2.2.2]octane-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
C1CC2CCC1CC2(CN)C(=O)O
InChI
InChI=1S/C10H17NO2/c11-6-10(9(12)13)5-7-1-3-8(10)4-2-7/h7-8H,1-6,11H2,(H,12,13)
InChIKey
WMMJBRAJSIKUPF-UHFFFAOYSA-N
Compound name
2-(aminomethyl)bicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.12593 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 142.0
[M+Na]+ 206.11515 145.6
[M-H]- 182.11865 136.8
[M+NH4]+ 201.15975 166.9
[M+K]+ 222.08909 143.2
[M+H-H2O]+ 166.12319 138.3
[M+HCOO]- 228.12413 152.0
[M+CH3COO]- 242.13978 151.7
[M+Na-2H]- 204.10060 151.7
[M]+ 183.12538 140.0
[M]- 183.12648 140.0
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.