CID 74787812

4-ethynyl-5,6,7,8-tetrahydro-1,7-naphthyridine dihydrochloride

Structural Information

Molecular Formula
C10H10N2
SMILES
C#CC1=C2CCNCC2=NC=C1
InChI
InChI=1S/C10H10N2/c1-2-8-3-6-12-10-7-11-5-4-9(8)10/h1,3,6,11H,4-5,7H2
InChIKey
LQBLTQMBPZPQJB-UHFFFAOYSA-N
Compound name
4-ethynyl-5,6,7,8-tetrahydro-1,7-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0844 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 133.4
[M+Na]+ 181.07362 143.1
[M-H]- 157.07712 131.6
[M+NH4]+ 176.11822 149.6
[M+K]+ 197.04756 136.6
[M+H-H2O]+ 141.08166 120.3
[M+HCOO]- 203.08260 145.2
[M+CH3COO]- 217.09825 143.6
[M+Na-2H]- 179.05907 139.9
[M]+ 158.08385 123.4
[M]- 158.08495 123.4
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.