CID 118839761

(4-bromopyrimidin-2-yl)methanol

Structural Information

Molecular Formula
C5H5BrN2O
SMILES
C1=CN=C(N=C1Br)CO
InChI
InChI=1S/C5H5BrN2O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2
InChIKey
UAZXMXILUUQZSG-UHFFFAOYSA-N
Compound name
(4-bromopyrimidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.95853 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.965806 126.2
[M+Na]+ 210.947748 138.9
[M-H]- 186.951254 129.1
[M+NH4]+ 205.992353 146.5
[M+K]+ 226.921688 128.3
[M+H-H2O]+ 170.955790 126.1
[M+HCOO]- 232.956731 146.0
[M+CH3COO]- 246.972381 176.2
[M+Na-2H]- 208.933196 136.6
[M]+ 187.95798142 144.4
[M]- 187.95907858 144.4
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.