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 143.7
[M+Na]+ 211.12057 157.3
[M+NH4]+ 206.16517 152.8
[M+K]+ 227.09451 148.8
[M-H]- 187.12407 146.0
[M+Na-2H]- 209.10602 150.2
[M]+ 188.13080 146.3
[M]- 188.13190 146.3
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