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

7
Patents

198.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.12297 142.6
[M+Na]+ 221.10491 150.2
[M-H]- 197.10841 144.7
[M+NH4]+ 216.14951 160.4
[M+K]+ 237.07885 144.0
[M+H-H2O]+ 181.11295 134.8
[M+HCOO]- 243.11389 160.9
[M+CH3COO]- 257.12954 154.2
[M+Na-2H]- 219.09036 148.9
[M]+ 198.11514 137.3
[M]- 198.11624 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