CID 5272721

Isopropyl 2-isopropylindolizine-3-carboxylate

Structural Information

Molecular Formula
C15H19NO2
SMILES
CC(C)C1=C(N2C=CC=CC2=C1)C(=O)OC(C)C
InChI
InChI=1S/C15H19NO2/c1-10(2)13-9-12-7-5-6-8-16(12)14(13)15(17)18-11(3)4/h5-11H,1-4H3
InChIKey
GDBKTPDNTJMFOT-UHFFFAOYSA-N
Compound name
propan-2-yl 2-propan-2-ylindolizine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.14159 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.14887 157.3
[M+Na]+ 268.13081 165.7
[M-H]- 244.13431 161.0
[M+NH4]+ 263.17541 176.6
[M+K]+ 284.10475 163.4
[M+H-H2O]+ 228.13885 150.7
[M+HCOO]- 290.13979 178.3
[M+CH3COO]- 304.15544 196.5
[M+Na-2H]- 266.11626 158.9
[M]+ 245.14104 161.8
[M]- 245.14214 161.8
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.