CID 129904718

1-(3-indolyl)-2r,3-dihydroxypropan-1-one

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)[C@@H](CO)O
InChI
InChI=1S/C11H11NO3/c13-6-10(14)11(15)8-5-12-9-4-2-1-3-7(8)9/h1-5,10,12-14H,6H2/t10-/m1/s1
InChIKey
YGCMIDOKJLDHEZ-SNVBAGLBSA-N
Compound name
(2R)-2,3-dihydroxy-1-(1H-indol-3-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.9
[M+Na]+ 228.06312 151.0
[M-H]- 204.06662 142.7
[M+NH4]+ 223.10772 161.3
[M+K]+ 244.03706 147.1
[M+H-H2O]+ 188.07116 137.3
[M+HCOO]- 250.07210 161.9
[M+CH3COO]- 264.08775 177.7
[M+Na-2H]- 226.04857 147.3
[M]+ 205.07335 142.2
[M]- 205.07445 142.2
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

No patent data available for this compound.