CID 66315126

1507028-61-6

Structural Information

Molecular Formula

C₆H₇BrN₂O₂

SMILES

COCC1=NC=C(C(=O)N1)Br

InChI

InChI=1S/C6H7BrN2O2/c1-11-3-5-8-2-4(7)6(10)9-5/h2H,3H2,1H3,(H,8,9,10)

InChIKey

RQHQVTDNTWVZAO-UHFFFAOYSA-N

Compound name

5-bromo-2-(methoxymethyl)-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 217.96909 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.97637	131.9
[M+Na]+	240.95831	145.2
[M-H]-	216.96181	135.0
[M+NH4]+	236.00291	151.2
[M+K]+	256.93225	134.1
[M+H-H2O]+	200.96635	131.5
[M+HCOO]-	262.96729	151.6
[M+CH3COO]-	276.98294	181.2
[M+Na-2H]-	238.94376	141.0
[M]+	217.96854	151.4
[M]-	217.96964	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe