CID 558135

Octahydro-quinolizine-1-carboxylic acid

Structural Information

Molecular Formula
C10H17NO2
SMILES
C1CCN2CCCC(C2C1)C(=O)O
InChI
InChI=1S/C10H17NO2/c12-10(13)8-4-3-7-11-6-2-1-5-9(8)11/h8-9H,1-7H2,(H,12,13)
InChIKey
ZYQJGZAVMHNFNY-UHFFFAOYSA-N
Compound name
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

21
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 141.2
[M+Na]+ 206.11515 144.8
[M-H]- 182.11865 141.4
[M+NH4]+ 201.15975 159.6
[M+K]+ 222.08909 142.9
[M+H-H2O]+ 166.12319 134.7
[M+HCOO]- 228.12413 154.8
[M+CH3COO]- 242.13978 178.9
[M+Na-2H]- 204.10060 144.7
[M]+ 183.12538 133.6
[M]- 183.12648 133.6
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