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]+ 213.13863 149.5
[M+Na]+ 235.12057 163.0
[M+NH4]+ 230.16517 159.0
[M+K]+ 251.09451 156.4
[M-H]- 211.12407 153.3
[M+Na-2H]- 233.10602 157.2
[M]+ 212.13080 152.5
[M]- 212.13190 152.5
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.