CID 45790703

Octahydroindolizine-2-carboxylic acid

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CCN2CC(CC2C1)C(=O)O
InChI
InChI=1S/C9H15NO2/c11-9(12)7-5-8-3-1-2-4-10(8)6-7/h7-8H,1-6H2,(H,11,12)
InChIKey
PTTFWJPLXOUJMB-UHFFFAOYSA-N
Compound name
1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 137.9
[M+Na]+ 192.09950 142.9
[M-H]- 168.10300 138.6
[M+NH4]+ 187.14410 158.8
[M+K]+ 208.07344 141.1
[M+H-H2O]+ 152.10754 132.0
[M+HCOO]- 214.10848 154.0
[M+CH3COO]- 228.12413 175.4
[M+Na-2H]- 190.08495 140.2
[M]+ 169.10973 132.0
[M]- 169.11083 132.0
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

patents stripe