CID 3058695

1,6-naphthyridine, 5,6,7,8-tetrahydro-6-(3-butenyl)-

Structural Information

Molecular Formula
C12H16N2
SMILES
C=CCCN1CCC2=C(C1)C=CC=N2
InChI
InChI=1S/C12H16N2/c1-2-3-8-14-9-6-12-11(10-14)5-4-7-13-12/h2,4-5,7H,1,3,6,8-10H2
InChIKey
OXLOHMSPUMJGLD-UHFFFAOYSA-N
Compound name
6-but-3-enyl-7,8-dihydro-5H-1,6-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

188.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 143.0
[M+Na]+ 211.12057 149.8
[M-H]- 187.12407 143.8
[M+NH4]+ 206.16517 161.0
[M+K]+ 227.09451 145.8
[M+H-H2O]+ 171.12861 135.0
[M+HCOO]- 233.12955 161.1
[M+CH3COO]- 247.14520 184.1
[M+Na-2H]- 209.10602 150.1
[M]+ 188.13080 140.5
[M]- 188.13190 140.5
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