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]+ 219.07642 144.9
[M+Na]+ 241.05836 152.8
[M-H]- 217.06186 146.0
[M+NH4]+ 236.10296 163.0
[M+K]+ 257.03230 149.2
[M+H-H2O]+ 201.06640 138.6
[M+HCOO]- 263.06734 166.7
[M+CH3COO]- 277.08299 183.7
[M+Na-2H]- 239.04381 150.2
[M]+ 218.06859 144.5
[M]- 218.06969 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.