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

10
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 145.2
[M+Na]+ 241.05836 153.9
[M-H]- 217.06186 146.2
[M+NH4]+ 236.10296 163.3
[M+K]+ 257.03230 150.0
[M+H-H2O]+ 201.06640 139.2
[M+HCOO]- 263.06734 166.3
[M+CH3COO]- 277.08299 185.1
[M+Na-2H]- 239.04381 148.8
[M]+ 218.06859 144.3
[M]- 218.06969 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