CID 177785841

7,7-dimethyl-1,5,6,7-tetrahydro-1,8-naphthyridine

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

CC1(CCC2=C(N1)N=CC=C2)C

InChI

InChI=1S/C10H14N2/c1-10(2)6-5-8-4-3-7-11-9(8)12-10/h3-4,7H,5-6H2,1-2H3,(H,11,12)

InChIKey

PBOOHVHUDSWYQX-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3,4-dihydro-1H-1,8-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.11569 Da
Monoisotopic Mass: 2.2
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]+	163.122966	135.9
[M+Na]+	185.104908	144.0
[M-H]-	161.108414	136.2
[M+NH4]+	180.149513	156.5
[M+K]+	201.078848	140.5
[M+H-H2O]+	145.112950	129.1
[M+HCOO]-	207.113891	153.1
[M+CH3COO]-	221.129541	148.2
[M+Na-2H]-	183.090356	144.7
[M]+	162.11514142	132.0
[M]-	162.11623858	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.