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]+ 227.08151 148.0
[M+Na]+ 249.06345 159.2
[M-H]- 225.06695 149.4
[M+NH4]+ 244.10805 166.4
[M+K]+ 265.03739 153.7
[M+H-H2O]+ 209.07149 141.4
[M+HCOO]- 271.07243 167.0
[M+CH3COO]- 285.08808 160.6
[M+Na-2H]- 247.04890 154.3
[M]+ 226.07368 149.2
[M]- 226.07478 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.