CID 21973569

Methyl 5-(bromomethyl)pyrazine-2-carboxylate

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
COC(=O)C1=NC=C(N=C1)CBr
InChI
InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4-9-5(2-8)3-10-6/h3-4H,2H2,1H3
InChIKey
OIGRHUBIDWZLHR-UHFFFAOYSA-N
Compound name
methyl 5-(bromomethyl)pyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

229.96909 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.97637 135.9
[M+Na]+ 252.95831 148.2
[M-H]- 228.96181 140.0
[M+NH4]+ 248.00291 155.2
[M+K]+ 268.93225 138.4
[M+H-H2O]+ 212.96635 135.1
[M+HCOO]- 274.96729 155.9
[M+CH3COO]- 288.98294 185.5
[M+Na-2H]- 250.94376 144.6
[M]+ 229.96854 156.6
[M]- 229.96964 156.6
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