CID 52551

Ethanamine, 2-ethoxy-n-(1h-indol-3-ylmethylene)-

Structural Information

Molecular Formula
C13H16N2O
SMILES
CCOCCN=CC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O/c1-2-16-8-7-14-9-11-10-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,2,7-8H2,1H3
InChIKey
FCWOHHYMMSALEJ-UHFFFAOYSA-N
Compound name
N-(2-ethoxyethyl)-1-(1H-indol-3-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 147.5
[M+Na]+ 239.115488 156.0
[M-H]- 215.118994 150.8
[M+NH4]+ 234.160093 167.6
[M+K]+ 255.089428 152.0
[M+H-H2O]+ 199.123530 140.3
[M+HCOO]- 261.124471 173.1
[M+CH3COO]- 275.140121 189.6
[M+Na-2H]- 237.100936 155.0
[M]+ 216.12572142 150.7
[M]- 216.12681858 150.7
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.