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]+ 205.13355 144.9
[M+Na]+ 227.11549 152.3
[M-H]- 203.11899 145.7
[M+NH4]+ 222.16009 164.0
[M+K]+ 243.08943 147.9
[M+H-H2O]+ 187.12353 138.5
[M+HCOO]- 249.12447 166.6
[M+CH3COO]- 263.14012 183.9
[M+Na-2H]- 225.10094 150.8
[M]+ 204.12572 144.2
[M]- 204.12682 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