CID 135947959

5-bromo-6-cyclopropylpyrimidin-4-ol

Structural Information

Molecular Formula

C₇H₇BrN₂O

SMILES

C1CC1C2=C(C(=O)NC=N2)Br

InChI

InChI=1S/C7H7BrN2O/c8-5-6(4-1-2-4)9-3-10-7(5)11/h3-4H,1-2H2,(H,9,10,11)

InChIKey

DNYANJNYEUFPQO-UHFFFAOYSA-N

Compound name

5-bromo-4-cyclopropyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 213.97418 Da
Monoisotopic Mass: 0.7
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]+	214.981456	139.5
[M+Na]+	236.963398	154.4
[M-H]-	212.966904	146.3
[M+NH4]+	232.008003	154.5
[M+K]+	252.937338	141.6
[M+H-H2O]+	196.971440	138.4
[M+HCOO]-	258.972381	159.4
[M+CH3COO]-	272.988031	184.1
[M+Na-2H]-	234.948846	147.8
[M]+	213.97363142	158.2
[M]-	213.97472858	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe