CID 440750

3-(6-hydroxyindol-3-yl)lactate

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1=CC2=C(C=C1O)NC=C2CC(C(=O)O)O
InChI
InChI=1S/C11H11NO4/c13-7-1-2-8-6(3-10(14)11(15)16)5-12-9(8)4-7/h1-2,4-5,10,12-14H,3H2,(H,15,16)
InChIKey
QVXYTCLWWRPFPW-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(6-hydroxy-1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

221.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 145.9
[M+Na]+ 244.05802 154.2
[M-H]- 220.06152 144.6
[M+NH4]+ 239.10262 163.0
[M+K]+ 260.03196 150.1
[M+H-H2O]+ 204.06606 140.5
[M+HCOO]- 266.06700 163.5
[M+CH3COO]- 280.08265 178.9
[M+Na-2H]- 242.04347 149.1
[M]+ 221.06825 145.2
[M]- 221.06935 145.2
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