CID 74787863

6-ethynyl-1,2,3,4-tetrahydro-1,8-naphthyridine

Structural Information

Molecular Formula
C10H10N2
SMILES
C#CC1=CC2=C(NCCC2)N=C1
InChI
InChI=1S/C10H10N2/c1-2-8-6-9-4-3-5-11-10(9)12-7-8/h1,6-7H,3-5H2,(H,11,12)
InChIKey
MWRGUIYYMRNANH-UHFFFAOYSA-N
Compound name
6-ethynyl-1,2,3,4-tetrahydro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0844 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 133.4
[M+Na]+ 181.073618 143.1
[M-H]- 157.077124 131.6
[M+NH4]+ 176.118223 149.6
[M+K]+ 197.047558 136.6
[M+H-H2O]+ 141.081660 120.3
[M+HCOO]- 203.082601 145.2
[M+CH3COO]- 217.098251 143.6
[M+Na-2H]- 179.059066 139.9
[M]+ 158.08385142 123.4
[M]- 158.08494858 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.