CID 146050325

3-formylindolizine-1-carboxylic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC2=C(C=C(N2C=C1)C=O)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-6-7-5-8(10(13)14)9-3-1-2-4-11(7)9/h1-6H,(H,13,14)
InChIKey
XYWDJVHGPOMUHG-UHFFFAOYSA-N
Compound name
3-formylindolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.04259 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.049866 135.4
[M+Na]+ 212.031808 146.4
[M-H]- 188.035314 138.5
[M+NH4]+ 207.076413 156.2
[M+K]+ 228.005748 143.3
[M+H-H2O]+ 172.039850 129.7
[M+HCOO]- 234.040791 159.0
[M+CH3COO]- 248.056441 179.1
[M+Na-2H]- 210.017256 141.8
[M]+ 189.04204142 138.4
[M]- 189.04313858 138.4
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

No patent data available for this compound.