CID 38084

3-(hydroxyacetoxyacetyl)indole

Structural Information

Molecular Formula
C12H11NO4
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)COC(=O)CO
InChI
InChI=1S/C12H11NO4/c14-6-12(16)17-7-11(15)9-5-13-10-4-2-1-3-8(9)10/h1-5,13-14H,6-7H2
InChIKey
KRKYUCOQXLFDCZ-UHFFFAOYSA-N
Compound name
[2-(1H-indol-3-yl)-2-oxoethyl] 2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.076076 149.1
[M+Na]+ 256.058018 157.3
[M-H]- 232.061524 150.1
[M+NH4]+ 251.102623 166.9
[M+K]+ 272.031958 154.0
[M+H-H2O]+ 216.066060 142.8
[M+HCOO]- 278.067001 169.6
[M+CH3COO]- 292.082651 183.8
[M+Na-2H]- 254.043466 153.4
[M]+ 233.06825142 151.2
[M]- 233.06934858 151.2
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

No patent data available for this compound.