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

7
Patents

207.05632 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 141.1
[M+Na]+ 230.04554 152.9
[M-H]- 206.04904 142.0
[M+NH4]+ 225.09014 157.7
[M+K]+ 246.01948 146.6
[M+H-H2O]+ 190.05358 127.9
[M+HCOO]- 252.05452 152.3
[M+CH3COO]- 266.07017 152.2
[M+Na-2H]- 228.03099 147.0
[M]+ 207.05577 136.1
[M]- 207.05687 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