CID 21952757

3-bromo-2-methoxy-5-methylpyridine

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=C(N=C1)OC)Br
InChI
InChI=1S/C7H8BrNO/c1-5-3-6(8)7(10-2)9-4-5/h3-4H,1-2H3
InChIKey
NDKLQBZACYGWAZ-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxy-5-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

200.97893 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 130.6
[M+Na]+ 223.96815 143.8
[M-H]- 199.97165 136.3
[M+NH4]+ 219.01275 152.7
[M+K]+ 239.94209 133.8
[M+H-H2O]+ 183.97619 130.8
[M+HCOO]- 245.97713 152.3
[M+CH3COO]- 259.99278 182.8
[M+Na-2H]- 221.95360 139.7
[M]+ 200.97838 151.0
[M]- 200.97948 151.0
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