CID 89881653

5-bromo-2-(methoxymethyl)pyrimidine

Structural Information

Molecular Formula
C6H7BrN2O
SMILES
COCC1=NC=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2O/c1-10-4-6-8-2-5(7)3-9-6/h2-3H,4H2,1H3
InChIKey
HBFDTJFYQNXSOG-UHFFFAOYSA-N
Compound name
5-bromo-2-(methoxymethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

201.97418 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98146 129.7
[M+Na]+ 224.96340 142.4
[M-H]- 200.96690 133.7
[M+NH4]+ 220.00800 150.2
[M+K]+ 240.93734 132.5
[M+H-H2O]+ 184.97144 129.1
[M+HCOO]- 246.97238 150.5
[M+CH3COO]- 260.98803 181.5
[M+Na-2H]- 222.94885 140.1
[M]+ 201.97363 150.0
[M]- 201.97473 150.0
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