CID 208450

Quinpyrrolidine

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CCN(C1)CCOC2=CC=NC3=CC=CC=C32
InChI
InChI=1S/C15H18N2O/c1-2-6-14-13(5-1)15(7-8-16-14)18-12-11-17-9-3-4-10-17/h1-2,5-8H,3-4,9-12H2
InChIKey
ZSQDIESIQHUWMQ-UHFFFAOYSA-N
Compound name
4-(2-pyrrolidin-1-ylethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.7
[M+Na]+ 265.13112 162.0
[M-H]- 241.13462 159.7
[M+NH4]+ 260.17572 172.8
[M+K]+ 281.10506 157.9
[M+H-H2O]+ 225.13916 146.5
[M+HCOO]- 287.14010 175.0
[M+CH3COO]- 301.15575 167.0
[M+Na-2H]- 263.11657 160.6
[M]+ 242.14135 154.5
[M]- 242.14245 154.5
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.