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]+ 190.04987 135.4
[M+Na]+ 212.03181 146.4
[M-H]- 188.03531 138.5
[M+NH4]+ 207.07641 156.2
[M+K]+ 228.00575 143.3
[M+H-H2O]+ 172.03985 129.7
[M+HCOO]- 234.04079 159.0
[M+CH3COO]- 248.05644 179.1
[M+Na-2H]- 210.01726 141.8
[M]+ 189.04204 138.4
[M]- 189.04314 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.