CID 45496218

6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine

Structural Information

Molecular Formula
C9H11BrN2
SMILES
CC1CC2=C(NC1)N=CC(=C2)Br
InChI
InChI=1S/C9H11BrN2/c1-6-2-7-3-8(10)5-12-9(7)11-4-6/h3,5-6H,2,4H2,1H3,(H,11,12)
InChIKey
WFNARPRWIPKUJB-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.01056 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.017836 141.5
[M+Na]+ 248.999778 152.8
[M-H]- 225.003284 144.6
[M+NH4]+ 244.044383 161.4
[M+K]+ 264.973718 140.9
[M+H-H2O]+ 209.007820 141.2
[M+HCOO]- 271.008761 157.0
[M+CH3COO]- 285.024411 155.3
[M+Na-2H]- 246.985226 150.0
[M]+ 226.01001142 156.3
[M]- 226.01110858 156.3
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

No patent data available for this compound.