CID 54595748

2-amino-6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H12N4
SMILES
CN1CCC2=NC(=C(C=C2C1)C#N)N
InChI
InChI=1S/C10H12N4/c1-14-3-2-9-8(6-14)4-7(5-11)10(12)13-9/h4H,2-3,6H2,1H3,(H2,12,13)
InChIKey
SBIXNVLNBYDQAY-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1062 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 140.8
[M+Na]+ 211.095418 150.9
[M-H]- 187.098924 141.3
[M+NH4]+ 206.140023 156.6
[M+K]+ 227.069358 146.2
[M+H-H2O]+ 171.103460 126.9
[M+HCOO]- 233.104401 156.3
[M+CH3COO]- 247.120051 151.3
[M+Na-2H]- 209.080866 146.4
[M]+ 188.10565142 132.5
[M]- 188.10674858 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.