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]+ 224.11823 152.0
[M+Na]+ 246.10017 162.7
[M-H]- 222.10367 153.9
[M+NH4]+ 241.14477 167.4
[M+K]+ 262.07411 154.4
[M+H-H2O]+ 206.10821 136.9
[M+HCOO]- 268.10915 167.8
[M+CH3COO]- 282.12480 162.1
[M+Na-2H]- 244.08562 156.5
[M]+ 223.11040 144.0
[M]- 223.11150 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.