CID 390689

Nsc688321

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₂

SMILES

C1CCNC(C1)C2CC(C3CCCCN3C2)C(=O)O

InChI

InChI=1S/C15H26N2O2/c18-15(19)12-9-11(13-5-1-3-7-16-13)10-17-8-4-2-6-14(12)17/h11-14,16H,1-10H2,(H,18,19)

InChIKey

VFENFLGNSRQELY-UHFFFAOYSA-N

Compound name

3-piperidin-2-yl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 266.19943 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	267.20671	166.6
[M+Na]+	289.18865	166.6
[M-H]-	265.19215	165.7
[M+NH4]+	284.23325	178.8
[M+K]+	305.16259	162.4
[M+H-H2O]+	249.19669	157.6
[M+HCOO]-	311.19763	172.5
[M+CH3COO]-	325.21328	172.8
[M+Na-2H]-	287.17410	165.4
[M]+	266.19888	152.8
[M]-	266.19998	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe