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 152.8
[M+Na]+ 264.11072 162.7
[M-H]- 240.11422 154.8
[M+NH4]+ 259.15532 166.4
[M+K]+ 280.08466 156.1
[M+H-H2O]+ 224.11876 137.6
[M+HCOO]- 286.11970 166.7
[M+CH3COO]- 300.13535 162.5
[M+Na-2H]- 262.09617 157.3
[M]+ 241.12095 145.4
[M]- 241.12205 145.4
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.