CID 145874490

2169228-13-9

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CCN2C(=C(C=C2C=O)C(=O)O)C1
InChI
InChI=1S/C10H11NO3/c12-6-7-5-8(10(13)14)9-3-1-2-4-11(7)9/h5-6H,1-4H2,(H,13,14)
InChIKey
ZGKHHZGRFQUFCD-UHFFFAOYSA-N
Compound name
3-formyl-5,6,7,8-tetrahydroindolizine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.8
[M+Na]+ 216.063118 147.7
[M-H]- 192.066624 141.6
[M+NH4]+ 211.107723 160.1
[M+K]+ 232.037058 145.2
[M+H-H2O]+ 176.071160 134.1
[M+HCOO]- 238.072101 159.0
[M+CH3COO]- 252.087751 180.0
[M+Na-2H]- 214.048566 143.2
[M]+ 193.07335142 138.5
[M]- 193.07444858 138.5
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.