CID 24892821

4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid

Structural Information

Molecular Formula
C16H18N2O2
SMILES
C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)O
InChI
InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
InChIKey
QUAGUFNCKDDJFZ-UHFFFAOYSA-N
Compound name
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.144116 163.2
[M+Na]+ 293.126058 168.6
[M-H]- 269.129564 165.7
[M+NH4]+ 288.170663 176.6
[M+K]+ 309.099998 163.8
[M+H-H2O]+ 253.134100 153.8
[M+HCOO]- 315.135041 177.7
[M+CH3COO]- 329.150691 172.7
[M+Na-2H]- 291.111506 167.3
[M]+ 270.13629142 158.7
[M]- 270.13738858 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe