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

2
Patents

188.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 143.0
[M+Na]+ 211.120568 149.8
[M-H]- 187.124074 143.8
[M+NH4]+ 206.165173 161.0
[M+K]+ 227.094508 145.8
[M+H-H2O]+ 171.128610 135.0
[M+HCOO]- 233.129551 161.1
[M+CH3COO]- 247.145201 184.1
[M+Na-2H]- 209.106016 150.1
[M]+ 188.13080142 140.5
[M]- 188.13189858 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