CID 21217

Nsc 9085

Structural Information

Molecular Formula
C14H20N2O
SMILES
CCN1C=C(C2=CC=CC=C21)C(CN(C)C)O
InChI
InChI=1S/C14H20N2O/c1-4-16-9-12(14(17)10-15(2)3)11-7-5-6-8-13(11)16/h5-9,14,17H,4,10H2,1-3H3
InChIKey
STKHFYZBZLFYSR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1-(1-ethylindol-3-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16484 153.7
[M+Na]+ 255.14678 165.5
[M+NH4]+ 250.19138 162.0
[M+K]+ 271.12072 161.0
[M-H]- 231.15028 155.9
[M+Na-2H]- 253.13223 159.2
[M]+ 232.15701 155.9
[M]- 232.15811 155.9
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

No patent data available for this compound.