CID 46398840

1-(carboxymethyl)-1h-benzo[g]indole-2-carboxylic acid

Structural Information

Molecular Formula
C15H11NO4
SMILES
C1=CC=C2C(=C1)C=CC3=C2N(C(=C3)C(=O)O)CC(=O)O
InChI
InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKey
AKGLRHRNGGDMDM-UHFFFAOYSA-N
Compound name
1-(carboxymethyl)benzo[g]indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

269.06882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.076096 157.3
[M+Na]+ 292.058038 167.1
[M-H]- 268.061544 159.8
[M+NH4]+ 287.102643 174.9
[M+K]+ 308.031978 162.7
[M+H-H2O]+ 252.066080 151.1
[M+HCOO]- 314.067021 176.5
[M+CH3COO]- 328.082671 193.9
[M+Na-2H]- 290.043486 161.7
[M]+ 269.06827142 160.2
[M]- 269.06936858 160.2
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.