CID 440806

5-hydroxyindoleacetylglycine

Structural Information

Molecular Formula
C12H12N2O4
SMILES
C1=CC2=C(C=C1O)C(=CN2)CC(=O)NCC(=O)O
InChI
InChI=1S/C12H12N2O4/c15-8-1-2-10-9(4-8)7(5-13-10)3-11(16)14-6-12(17)18/h1-2,4-5,13,15H,3,6H2,(H,14,16)(H,17,18)
InChIKey
LFUCRBSGQMAKCO-UHFFFAOYSA-N
Compound name
2-[[2-(5-hydroxy-1H-indol-3-yl)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

248.07971 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.086986 152.4
[M+Na]+ 271.068928 160.0
[M-H]- 247.072434 152.3
[M+NH4]+ 266.113533 168.7
[M+K]+ 287.042868 156.1
[M+H-H2O]+ 231.076970 146.1
[M+HCOO]- 293.077911 172.4
[M+CH3COO]- 307.093561 188.0
[M+Na-2H]- 269.054376 156.1
[M]+ 248.07916142 152.3
[M]- 248.08025858 152.3
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