CID 372628

Nsc648077

Structural Information

Molecular Formula
C14H13N3
SMILES
C1CN(CC(=C1)C2=CC3=CC=CC=C3N2)C#N
InChI
InChI=1S/C14H13N3/c15-10-17-7-3-5-12(9-17)14-8-11-4-1-2-6-13(11)16-14/h1-2,4-6,8,16H,3,7,9H2
InChIKey
RNRBMXLCGSJRAR-UHFFFAOYSA-N
Compound name
5-(1H-indol-2-yl)-3,6-dihydro-2H-pyridine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11095 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.118226 152.0
[M+Na]+ 246.100168 162.7
[M-H]- 222.103674 153.9
[M+NH4]+ 241.144773 167.4
[M+K]+ 262.074108 154.4
[M+H-H2O]+ 206.108210 136.9
[M+HCOO]- 268.109151 167.8
[M+CH3COO]- 282.124801 162.1
[M+Na-2H]- 244.085616 156.5
[M]+ 223.11040142 144.0
[M]- 223.11149858 144.0
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.