CID 86684350

Methyl 1-formyl-5,6,7,8-tetrahydroindolizine-2-carboxylate

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC(=O)C1=CN2CCCCC2=C1C=O
InChI
InChI=1S/C11H13NO3/c1-15-11(14)8-6-12-5-3-2-4-10(12)9(8)7-13/h6-7H,2-5H2,1H3
InChIKey
PNQJSWVPZPGBSQ-UHFFFAOYSA-N
Compound name
methyl 1-formyl-5,6,7,8-tetrahydroindolizine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

207.08954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.1
[M+Na]+ 230.07876 155.6
[M+NH4]+ 225.12336 152.7
[M+K]+ 246.05270 152.0
[M-H]- 206.08226 145.3
[M+Na-2H]- 228.06421 148.2
[M]+ 207.08899 146.3
[M]- 207.09009 146.3
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

patents stripe