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]+ 189.11348 140.8
[M+Na]+ 211.09542 150.9
[M-H]- 187.09892 141.3
[M+NH4]+ 206.14002 156.6
[M+K]+ 227.06936 146.2
[M+H-H2O]+ 171.10346 126.9
[M+HCOO]- 233.10440 156.3
[M+CH3COO]- 247.12005 151.3
[M+Na-2H]- 209.08087 146.4
[M]+ 188.10565 132.5
[M]- 188.10675 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.