CID 441070

Cuskhygrine

Structural Information

Molecular Formula

C₁₃H₂₄N₂O

SMILES

CN1CCCC1CC(=O)CC2CCCN2C

InChI

InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3

InChIKey

ZEBIACKKLGVLFZ-UHFFFAOYSA-N

Compound name

1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 188
Patents: 224.18886 Da
Monoisotopic Mass: 1.0
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]+	225.19614	157.4
[M+Na]+	247.17808	161.9
[M-H]-	223.18158	160.5
[M+NH4]+	242.22268	176.3
[M+K]+	263.15202	160.0
[M+H-H2O]+	207.18612	149.6
[M+HCOO]-	269.18706	174.6
[M+CH3COO]-	283.20271	190.4
[M+Na-2H]-	245.16353	154.1
[M]+	224.18831	153.9
[M]-	224.18941	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe