CID 53722445

2-hydroxymelatonin

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)O
InChI
InChI=1S/C13H16N2O3/c1-8(16)14-6-5-10-11-7-9(18-2)3-4-12(11)15-13(10)17/h3-4,7,15,17H,5-6H2,1-2H3,(H,14,16)
InChIKey
CIEAUFSGHUWAMC-UHFFFAOYSA-N
Compound name
N-[2-(2-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

15
Patents

248.11609 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 154.8
[M+Na]+ 271.10531 163.6
[M-H]- 247.10881 156.2
[M+NH4]+ 266.14991 172.5
[M+K]+ 287.07925 159.7
[M+H-H2O]+ 231.11335 148.5
[M+HCOO]- 293.11429 176.6
[M+CH3COO]- 307.12994 192.1
[M+Na-2H]- 269.09076 158.9
[M]+ 248.11554 157.3
[M]- 248.11664 157.3
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

patents stripe