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 144.1
[M+Na]+ 230.07876 152.0
[M-H]- 206.08226 147.2
[M+NH4]+ 225.12336 164.6
[M+K]+ 246.05270 150.1
[M+H-H2O]+ 190.08680 138.0
[M+HCOO]- 252.08774 164.5
[M+CH3COO]- 266.10339 184.9
[M+Na-2H]- 228.06421 147.4
[M]+ 207.08899 144.9
[M]- 207.09009 144.9
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