CID 64437179

4-[(pyrrolidin-3-yl)methyl]quinoline

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CNCC1CC2=CC=NC3=CC=CC=C23
InChI
InChI=1S/C14H16N2/c1-2-4-14-13(3-1)12(6-8-16-14)9-11-5-7-15-10-11/h1-4,6,8,11,15H,5,7,9-10H2
InChIKey
HRTJEJIRWCDIBN-UHFFFAOYSA-N
Compound name
4-(pyrrolidin-3-ylmethyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 148.1
[M+Na]+ 235.120568 154.7
[M-H]- 211.124074 151.0
[M+NH4]+ 230.165173 165.9
[M+K]+ 251.094508 149.3
[M+H-H2O]+ 195.128610 139.7
[M+HCOO]- 257.129551 166.2
[M+CH3COO]- 271.145201 159.4
[M+Na-2H]- 233.106016 153.2
[M]+ 212.13080142 143.4
[M]- 212.13189858 143.4
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.