CID 21215

1-ethyl-alpha-((methylamino)methyl)indole-3-methanol

Structural Information

Molecular Formula
C13H18N2O
SMILES
CCN1C=C(C2=CC=CC=C21)C(CNC)O
InChI
InChI=1S/C13H18N2O/c1-3-15-9-11(13(16)8-14-2)10-6-4-5-7-12(10)15/h4-7,9,13-14,16H,3,8H2,1-2H3
InChIKey
VVSPHTVFNGUXSK-UHFFFAOYSA-N
Compound name
1-(1-ethylindol-3-yl)-2-(methylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.14918 149.6
[M+Na]+ 241.13112 157.9
[M-H]- 217.13462 151.9
[M+NH4]+ 236.17572 169.1
[M+K]+ 257.10506 154.1
[M+H-H2O]+ 201.13916 143.0
[M+HCOO]- 263.14010 172.4
[M+CH3COO]- 277.15575 190.5
[M+Na-2H]- 239.11657 154.6
[M]+ 218.14135 151.4
[M]- 218.14245 151.4
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