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 148.1
[M+Na]+ 235.12057 154.7
[M-H]- 211.12407 151.0
[M+NH4]+ 230.16517 165.9
[M+K]+ 251.09451 149.3
[M+H-H2O]+ 195.12861 139.7
[M+HCOO]- 257.12955 166.2
[M+CH3COO]- 271.14520 159.4
[M+Na-2H]- 233.10602 153.2
[M]+ 212.13080 143.4
[M]- 212.13190 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.