CID 5745939

65032-81-7

Structural Information

Molecular Formula
C13H10N2O2
SMILES
CC1=C2C3=CC=CC=C3NC2=CC(=N1)C(=O)O
InChI
InChI=1S/C13H10N2O2/c1-7-12-8-4-2-3-5-9(8)15-10(12)6-11(14-7)13(16)17/h2-6,15H,1H3,(H,16,17)
InChIKey
DAGDMYMXVFRKPZ-UHFFFAOYSA-N
Compound name
1-methyl-5H-pyrido[4,3-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.081506 148.0
[M+Na]+ 249.063448 159.2
[M-H]- 225.066954 149.4
[M+NH4]+ 244.108053 166.4
[M+K]+ 265.037388 153.7
[M+H-H2O]+ 209.071490 141.4
[M+HCOO]- 271.072431 167.0
[M+CH3COO]- 285.088081 160.6
[M+Na-2H]- 247.048896 154.3
[M]+ 226.07368142 149.2
[M]- 226.07477858 149.2
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.