CID 5272718

2-phenylindolizine-8-carboxylic acid

Structural Information

Molecular Formula
C15H11NO2
SMILES
C1=CC=C(C=C1)C2=CN3C=CC=C(C3=C2)C(=O)O
InChI
InChI=1S/C15H11NO2/c17-15(18)13-7-4-8-16-10-12(9-14(13)16)11-5-2-1-3-6-11/h1-10H,(H,17,18)
InChIKey
AQWUPFHFDZJMDT-UHFFFAOYSA-N
Compound name
2-phenylindolizine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.07898 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.7
[M+Na]+ 260.06820 160.5
[M-H]- 236.07170 156.7
[M+NH4]+ 255.11280 169.1
[M+K]+ 276.04214 155.6
[M+H-H2O]+ 220.07624 143.4
[M+HCOO]- 282.07718 173.6
[M+CH3COO]- 296.09283 164.0
[M+Na-2H]- 258.05365 156.6
[M]+ 237.07843 152.1
[M]- 237.07953 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe