CID 131769959

Cyclic 6-hydroxymelatonin

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(=O)N1CCC2=C1NC3=CC(=C(C=C23)OC)O
InChI
InChI=1S/C13H14N2O3/c1-7(16)15-4-3-8-9-5-12(18-2)11(17)6-10(9)14-13(8)15/h5-6,14,17H,3-4H2,1-2H3
InChIKey
FQZIOEARFRBPDV-UHFFFAOYSA-N
Compound name
1-(6-hydroxy-7-methoxy-2,4-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.3
[M+Na]+ 269.08967 165.5
[M+NH4]+ 264.13427 161.4
[M+K]+ 285.06361 164.4
[M-H]- 245.09317 153.7
[M+Na-2H]- 267.07512 156.2
[M]+ 246.09990 155.4
[M]- 246.10100 155.4
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.