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

404
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 148.3
[M+Na]+ 242.13895 157.1
[M-H]- 218.14245 151.1
[M+NH4]+ 237.18355 168.0
[M+K]+ 258.11289 147.6
[M+H-H2O]+ 202.14699 145.3
[M+HCOO]- 264.14793 170.0
[M+CH3COO]- 278.16358 183.2
[M+Na-2H]- 240.12440 158.0
[M]+ 219.14918 148.6
[M]- 219.15028 148.6
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