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]+ 166.08626 134.0
[M+Na]+ 188.06820 141.1
[M-H]- 164.07170 135.5
[M+NH4]+ 183.11280 155.2
[M+K]+ 204.04214 138.9
[M+H-H2O]+ 148.07624 128.2
[M+HCOO]- 210.07718 153.1
[M+CH3COO]- 224.09283 174.6
[M+Na-2H]- 186.05365 138.4
[M]+ 165.07843 131.1
[M]- 165.07953 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