CID 34319

28755-00-2

Structural Information

Molecular Formula
C11H14N2O
SMILES
CNCC(C1=CNC2=CC=CC=C21)O
InChI
InChI=1S/C11H14N2O/c1-12-7-11(14)9-6-13-10-5-3-2-4-8(9)10/h2-6,11-14H,7H2,1H3
InChIKey
FLDZGFXKYUCKRH-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-yl)-2-(methylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

190.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 140.3
[M+Na]+ 213.099828 148.1
[M-H]- 189.103334 141.2
[M+NH4]+ 208.144433 159.9
[M+K]+ 229.073768 143.9
[M+H-H2O]+ 173.107870 134.1
[M+HCOO]- 235.108811 162.3
[M+CH3COO]- 249.124461 180.9
[M+Na-2H]- 211.085276 146.7
[M]+ 190.11006142 139.2
[M]- 190.11115858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe