CID 39240532

7-(pyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline dihydrochloride

Structural Information

Molecular Formula
C13H18N2
SMILES
C1CCN(C1)C2=CC3=C(CCCN3)C=C2
InChI
InChI=1S/C13H18N2/c1-2-9-15(8-1)12-6-5-11-4-3-7-14-13(11)10-12/h5-6,10,14H,1-4,7-9H2
InChIKey
PPDHCSPPTALYBJ-UHFFFAOYSA-N
Compound name
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.15428 147.0
[M+Na]+ 225.13622 151.8
[M-H]- 201.13972 149.2
[M+NH4]+ 220.18082 165.0
[M+K]+ 241.11016 147.2
[M+H-H2O]+ 185.14426 138.6
[M+HCOO]- 247.14520 162.4
[M+CH3COO]- 261.16085 157.5
[M+Na-2H]- 223.12167 150.5
[M]+ 202.14645 139.0
[M]- 202.14755 139.0
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.