CID 125041970

Ethyl 4-bromo-2-methylpyrimidine-5-carboxylate

Structural Information

Molecular Formula
C8H9BrN2O2
SMILES
CCOC(=O)C1=CN=C(N=C1Br)C
InChI
InChI=1S/C8H9BrN2O2/c1-3-13-8(12)6-4-10-5(2)11-7(6)9/h4H,3H2,1-2H3
InChIKey
BOBOPWYJBVELHA-UHFFFAOYSA-N
Compound name
ethyl 4-bromo-2-methylpyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99202 140.0
[M+Na]+ 266.97396 152.7
[M-H]- 242.97746 144.3
[M+NH4]+ 262.01856 159.0
[M+K]+ 282.94790 142.6
[M+H-H2O]+ 226.98200 139.2
[M+HCOO]- 288.98294 159.7
[M+CH3COO]- 302.99859 189.4
[M+Na-2H]- 264.95941 147.5
[M]+ 243.98419 161.3
[M]- 243.98529 161.3
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

No patent data available for this compound.