CID 35781

5,7-dihydroxytryptamine

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1=C(C=C(C2=C1C(=CN2)CCN)O)O
InChI
InChI=1S/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h3-5,12-14H,1-2,11H2
InChIKey
LXWHQTNFZDTKBH-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-1H-indole-5,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1364
References

238
Patents

192.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 139.4
[M+Na]+ 215.07909 150.7
[M+NH4]+ 210.12369 146.8
[M+K]+ 231.05303 147.4
[M-H]- 191.08259 140.0
[M+Na-2H]- 213.06454 143.7
[M]+ 192.08932 140.8
[M]- 192.09042 140.8
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