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]+ 246.148866 157.3
[M+Na]+ 268.130808 165.7
[M-H]- 244.134314 161.0
[M+NH4]+ 263.175413 176.6
[M+K]+ 284.104748 163.4
[M+H-H2O]+ 228.138850 150.7
[M+HCOO]- 290.139791 178.3
[M+CH3COO]- 304.155441 196.5
[M+Na-2H]- 266.116256 158.9
[M]+ 245.14104142 161.8
[M]- 245.14213858 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.