CID 3055746

1h-indole, 3-(1,2,3,6-tetrahydro-1-(2-propenyl)-4-pyridinyl)-, monohydrochloride

Structural Information

Molecular Formula
C16H18N2
SMILES
C=CCN1CCC(=CC1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H18N2/c1-2-9-18-10-7-13(8-11-18)15-12-17-16-6-4-3-5-14(15)16/h2-7,12,17H,1,8-11H2
InChIKey
JLTVLHNCRAWREX-UHFFFAOYSA-N
Compound name
3-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15428 155.7
[M+Na]+ 261.13622 163.6
[M-H]- 237.13972 159.0
[M+NH4]+ 256.18082 172.8
[M+K]+ 277.11016 156.9
[M+H-H2O]+ 221.14426 147.2
[M+HCOO]- 283.14520 174.7
[M+CH3COO]- 297.16085 167.0
[M+Na-2H]- 259.12167 160.0
[M]+ 238.14645 152.8
[M]- 238.14755 152.8
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