CID 17868117

Schembl2930422

Structural Information

Molecular Formula
C13H19N2O
SMILES
C[N+](C)(C)CCC1=CNC2=C1C(=CC=C2)O
InChI
InChI=1S/C13H18N2O/c1-15(2,3)8-7-10-9-14-11-5-4-6-12(16)13(10)11/h4-6,9,14H,7-8H2,1-3H3/p+1
InChIKey
RMPOMMZKJNCOTM-UHFFFAOYSA-O
Compound name
2-(4-hydroxy-1H-indol-3-yl)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

219.14973 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15701 146.3
[M+Na]+ 242.13895 160.5
[M+NH4]+ 237.18355 155.9
[M+K]+ 258.11289 156.5
[M-H]- 218.14245 149.9
[M+Na-2H]- 240.12440 153.6
[M]+ 219.14918 149.8
[M]- 219.15028 149.8
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