CID 137952052

1-formyl-5,6,7,8-tetrahydroindolizine-2-carboxylic acid

Structural Information

Molecular Formula
C10H11NO3
SMILES
C1CCN2C=C(C(=C2C1)C=O)C(=O)O
InChI
InChI=1S/C10H11NO3/c12-6-8-7(10(13)14)5-11-4-2-1-3-9(8)11/h5-6H,1-4H2,(H,13,14)
InChIKey
ICHNDKMNDPASGO-UHFFFAOYSA-N
Compound name
1-formyl-5,6,7,8-tetrahydroindolizine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 139.8
[M+Na]+ 216.06312 147.7
[M-H]- 192.06662 141.6
[M+NH4]+ 211.10772 160.1
[M+K]+ 232.03706 145.2
[M+H-H2O]+ 176.07116 134.1
[M+HCOO]- 238.07210 159.0
[M+CH3COO]- 252.08775 180.0
[M+Na-2H]- 214.04857 143.2
[M]+ 193.07335 138.5
[M]- 193.07445 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.