CID 43316491

2-(1h-indole-4-carboxamido)acetic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC(=C2C=CNC2=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(15)6-13-11(16)8-2-1-3-9-7(8)4-5-12-9/h1-5,12H,6H2,(H,13,16)(H,14,15)
InChIKey
OSMDGPNZHMQTJO-UHFFFAOYSA-N
Compound name
2-(1H-indole-4-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.076416 144.9
[M+Na]+ 241.058358 152.8
[M-H]- 217.061864 146.0
[M+NH4]+ 236.102963 163.0
[M+K]+ 257.032298 149.2
[M+H-H2O]+ 201.066400 138.6
[M+HCOO]- 263.067341 166.7
[M+CH3COO]- 277.082991 183.7
[M+Na-2H]- 239.043806 150.2
[M]+ 218.06859142 144.5
[M]- 218.06968858 144.5
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.