CID 239810

3-(1h-indol-3-yl)-2-(methylamino)propan-1-ol

Structural Information

Molecular Formula
C12H16N2O
SMILES
CNC(CC1=CNC2=CC=CC=C21)CO
InChI
InChI=1S/C12H16N2O/c1-13-10(8-15)6-9-7-14-12-5-3-2-4-11(9)12/h2-5,7,10,13-15H,6,8H2,1H3
InChIKey
JZDKVWMSZWQTBR-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-2-(methylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 144.9
[M+Na]+ 227.115488 152.3
[M-H]- 203.118994 145.7
[M+NH4]+ 222.160093 164.0
[M+K]+ 243.089428 147.9
[M+H-H2O]+ 187.123530 138.5
[M+HCOO]- 249.124471 166.6
[M+CH3COO]- 263.140121 183.9
[M+Na-2H]- 225.100936 150.8
[M]+ 204.12572142 144.2
[M]- 204.12681858 144.2
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