CID 56592978

5-bromo-4-methoxy-6-methylpyrimidine

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
CC1=C(C(=NC=N1)OC)Br
InChI
InChI=1S/C6H7BrN2O/c1-4-5(7)6(10-2)9-3-8-4/h3H,1-2H3
InChIKey
YDPPNMNAHGZFDJ-UHFFFAOYSA-N
Compound name
5-bromo-4-methoxy-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

201.97418 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.981456 129.3
[M+Na]+ 224.963398 142.9
[M-H]- 200.966904 133.7
[M+NH4]+ 220.008003 150.1
[M+K]+ 240.937338 133.0
[M+H-H2O]+ 184.971440 128.9
[M+HCOO]- 246.972381 150.1
[M+CH3COO]- 260.988031 182.5
[M+Na-2H]- 222.948846 139.0
[M]+ 201.97363142 149.9
[M]- 201.97472858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe