CID 12251974

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

Structural Information

Molecular Formula
C8H10N2
SMILES
C1CNCC2=C1C=NC=C2
InChI
InChI=1S/C8H10N2/c1-3-9-6-8-2-4-10-5-7(1)8/h1,3,6,10H,2,4-5H2
InChIKey
KPZPSEIHRIDPKH-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydro-2,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

980
Patents

134.0844 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.09168 126.2
[M+Na]+ 157.07362 133.1
[M-H]- 133.07712 126.0
[M+NH4]+ 152.11822 145.4
[M+K]+ 173.04756 129.8
[M+H-H2O]+ 117.08166 119.1
[M+HCOO]- 179.08260 144.0
[M+CH3COO]- 193.09825 138.5
[M+Na-2H]- 155.05907 135.9
[M]+ 134.08385 120.8
[M]- 134.08495 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe