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

36
Patents

201.97418 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 133.4
[M+Na]+ 224.96340 138.0
[M+NH4]+ 220.00800 138.1
[M+K]+ 240.93734 138.1
[M-H]- 200.96690 133.3
[M+Na-2H]- 222.94885 137.7
[M]+ 201.97363 132.8
[M]- 201.97473 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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