CID 3068363

1h-indole, 4-(1,2,5,6-tetrahydro-3-pyridinyl)-, ethanedioate (2:1)

Structural Information

Molecular Formula
C13H14N2
SMILES
C1CNCC(=C1)C2=C3C=CNC3=CC=C2
InChI
InChI=1S/C13H14N2/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,3-6,8,14-15H,2,7,9H2
InChIKey
PJADMEDZWVVNBV-UHFFFAOYSA-N
Compound name
4-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.6
[M+Na]+ 221.104908 150.2
[M-H]- 197.108414 144.7
[M+NH4]+ 216.149513 160.4
[M+K]+ 237.078848 144.0
[M+H-H2O]+ 181.112950 134.8
[M+HCOO]- 243.113891 160.9
[M+CH3COO]- 257.129541 154.2
[M+Na-2H]- 219.090356 148.9
[M]+ 198.11514142 137.3
[M]- 198.11623858 137.3
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

patents stripe