CID 2107

Alpha-methylserotonin

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(CC1=CNC2=C1C=C(C=C2)O)N
InChI
InChI=1S/C11H14N2O/c1-7(12)4-8-6-13-11-3-2-9(14)5-10(8)11/h2-3,5-7,13-14H,4,12H2,1H3
InChIKey
LYPCGXKCQDYTFV-UHFFFAOYSA-N
Compound name
3-(2-aminopropyl)-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

210
References

543
Patents

190.11061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 141.0
[M+Na]+ 213.099828 149.8
[M-H]- 189.103334 141.9
[M+NH4]+ 208.144433 160.7
[M+K]+ 229.073768 145.3
[M+H-H2O]+ 173.107870 135.2
[M+HCOO]- 235.108811 162.4
[M+CH3COO]- 249.124461 181.5
[M+Na-2H]- 211.085276 145.7
[M]+ 190.11006142 139.3
[M]- 190.11115858 139.3
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