CID 68437429

2580197-54-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O

SMILES

CC1(CNCC2=C1NC(=O)C=C2)C

InChI

InChI=1S/C10H14N2O/c1-10(2)6-11-5-7-3-4-8(13)12-9(7)10/h3-4,11H,5-6H2,1-2H3,(H,12,13)

InChIKey

MYUUFWUXGFHHMZ-UHFFFAOYSA-N

Compound name

8,8-dimethyl-1,5,6,7-tetrahydro-1,6-naphthyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 178.11061 Da
Monoisotopic Mass: 0.0
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]+	179.11789	139.1
[M+Na]+	201.09983	147.9
[M-H]-	177.10333	138.3
[M+NH4]+	196.14443	158.5
[M+K]+	217.07377	143.3
[M+H-H2O]+	161.10787	132.8
[M+HCOO]-	223.10881	155.1
[M+CH3COO]-	237.12446	150.9
[M+Na-2H]-	199.08528	146.6
[M]+	178.11006	134.4
[M]-	178.11116	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe