CID 3024380

Glycine, n-(1h-indol-3-yloxoacetyl)-

Structural Information

Molecular Formula
C12H10N2O4
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NCC(=O)O
InChI
InChI=1S/C12H10N2O4/c15-10(16)6-14-12(18)11(17)8-5-13-9-4-2-1-3-7(8)9/h1-5,13H,6H2,(H,14,18)(H,15,16)
InChIKey
BXENFFOVSLXZQX-UHFFFAOYSA-N
Compound name
2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

246.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07134 151.5
[M+Na]+ 269.05328 158.7
[M-H]- 245.05678 152.5
[M+NH4]+ 264.09788 168.2
[M+K]+ 285.02722 155.5
[M+H-H2O]+ 229.06132 145.0
[M+HCOO]- 291.06226 172.2
[M+CH3COO]- 305.07791 189.1
[M+Na-2H]- 267.03873 155.2
[M]+ 246.06351 151.5
[M]- 246.06461 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe