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]+ 234.07608 149.1
[M+Na]+ 256.05802 157.3
[M-H]- 232.06152 150.1
[M+NH4]+ 251.10262 166.9
[M+K]+ 272.03196 154.0
[M+H-H2O]+ 216.06606 142.8
[M+HCOO]- 278.06700 169.6
[M+CH3COO]- 292.08265 183.8
[M+Na-2H]- 254.04347 153.4
[M]+ 233.06825 151.2
[M]- 233.06935 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.