CID 82414669

5,6,7,8-tetrahydroindolizine-3-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CCN2C(=CC=C2C(=O)O)C1
InChI
InChI=1S/C9H11NO2/c11-9(12)8-5-4-7-3-1-2-6-10(7)8/h4-5H,1-3,6H2,(H,11,12)
InChIKey
GBKDYTSZULYKSL-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroindolizine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 134.0
[M+Na]+ 188.068198 141.1
[M-H]- 164.071704 135.5
[M+NH4]+ 183.112803 155.2
[M+K]+ 204.042138 138.9
[M+H-H2O]+ 148.076240 128.2
[M+HCOO]- 210.077181 153.1
[M+CH3COO]- 224.092831 174.6
[M+Na-2H]- 186.053646 138.4
[M]+ 165.07843142 131.1
[M]- 165.07952858 131.1
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