CID 58934

101831-79-2

Structural Information

Molecular Formula
C14H15N3O
SMILES
C1COCCN1CC2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C14H15N3O/c15-8-11-1-2-14-13(7-11)12(9-16-14)10-17-3-5-18-6-4-17/h1-2,7,9,16H,3-6,10H2
InChIKey
DXVZCTCQFINTBY-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 159.7
[M+Na]+ 264.11072 172.5
[M+NH4]+ 259.15532 164.5
[M+K]+ 280.08466 163.7
[M-H]- 240.11422 156.3
[M+Na-2H]- 262.09617 162.8
[M]+ 241.12095 159.7
[M]- 241.12205 159.7
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.