CID 68500433

3-(carbamoylmethyl)-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CC(=O)N
InChI
InChI=1S/C11H10N2O3/c12-9(14)5-7-6-3-1-2-4-8(6)13-10(7)11(15)16/h1-4,13H,5H2,(H2,12,14)(H,15,16)
InChIKey
BVBPIQKAVZOYAO-UHFFFAOYSA-N
Compound name
3-(2-amino-2-oxoethyl)-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 145.2
[M+Na]+ 241.058358 153.9
[M-H]- 217.061864 146.2
[M+NH4]+ 236.102963 163.3
[M+K]+ 257.032298 150.0
[M+H-H2O]+ 201.066400 139.2
[M+HCOO]- 263.067341 166.3
[M+CH3COO]- 277.082991 185.1
[M+Na-2H]- 239.043806 148.8
[M]+ 218.06859142 144.3
[M]- 218.06968858 144.3
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

patents stripe