CID 600232

Methyl indolizine-2-carboxylate

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC(=O)C1=CN2C=CC=CC2=C1
InChI
InChI=1S/C10H9NO2/c1-13-10(12)8-6-9-4-2-3-5-11(9)7-8/h2-7H,1H3
InChIKey
PZENCFVMMTWFIK-UHFFFAOYSA-N
Compound name
methyl indolizine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

175.06332 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 133.7
[M+Na]+ 198.052538 144.1
[M-H]- 174.056044 137.8
[M+NH4]+ 193.097143 155.7
[M+K]+ 214.026478 141.9
[M+H-H2O]+ 158.060580 127.6
[M+HCOO]- 220.061521 158.5
[M+CH3COO]- 234.077171 178.6
[M+Na-2H]- 196.037986 141.1
[M]+ 175.06277142 137.3
[M]- 175.06386858 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe