CID 28776107

1042774-20-8

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CCN(C1)CC2=CC3=C(C=C2)NCCC3
InChI
InChI=1S/C14H20N2/c1-2-9-16(8-1)11-12-5-6-14-13(10-12)4-3-7-15-14/h5-6,10,15H,1-4,7-9,11H2
InChIKey
CUPZZYBYKGACPN-UHFFFAOYSA-N
Compound name
6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 151.5
[M+Na]+ 239.151858 155.9
[M-H]- 215.155364 153.5
[M+NH4]+ 234.196463 168.9
[M+K]+ 255.125798 151.0
[M+H-H2O]+ 199.159900 142.8
[M+HCOO]- 261.160841 166.6
[M+CH3COO]- 275.176491 161.5
[M+Na-2H]- 237.137306 154.4
[M]+ 216.16209142 143.8
[M]- 216.16318858 143.8
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

No patent data available for this compound.