CID 58155418

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

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CN1CCC2=NC(=C(C=C2C1)C#N)Cl
InChI
InChI=1S/C10H10ClN3/c1-14-3-2-9-8(6-14)4-7(5-12)10(11)13-9/h4H,2-3,6H2,1H3
InChIKey
HUNBSCGFAVDODA-UHFFFAOYSA-N
Compound name
2-chloro-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

207.05632 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 141.1
[M+Na]+ 230.045538 152.9
[M-H]- 206.049044 142.0
[M+NH4]+ 225.090143 157.7
[M+K]+ 246.019478 146.6
[M+H-H2O]+ 190.053580 127.9
[M+HCOO]- 252.054521 152.3
[M+CH3COO]- 266.070171 152.2
[M+Na-2H]- 228.030986 147.0
[M]+ 207.05577142 136.1
[M]- 207.05686858 136.1
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

patents stripe