CID 130046717

6,8-dimethylindolizine-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC1=CC(=CN2C1=CC(=C2)C(=O)O)C
InChI
InChI=1S/C11H11NO2/c1-7-3-8(2)10-4-9(11(13)14)6-12(10)5-7/h3-6H,1-2H3,(H,13,14)
InChIKey
YFVIPQMISQZHPV-UHFFFAOYSA-N
Compound name
6,8-dimethylindolizine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 137.9
[M+Na]+ 212.068198 149.2
[M-H]- 188.071704 141.1
[M+NH4]+ 207.112803 159.2
[M+K]+ 228.042138 145.9
[M+H-H2O]+ 172.076240 132.4
[M+HCOO]- 234.077181 160.8
[M+CH3COO]- 248.092831 182.0
[M+Na-2H]- 210.053646 143.0
[M]+ 189.07843142 140.9
[M]- 189.07952858 140.9
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

No patent data available for this compound.