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]+ 188.96581 126.2
[M+Na]+ 210.94775 138.9
[M-H]- 186.95125 129.1
[M+NH4]+ 205.99235 146.5
[M+K]+ 226.92169 128.3
[M+H-H2O]+ 170.95579 126.1
[M+HCOO]- 232.95673 146.0
[M+CH3COO]- 246.97238 176.2
[M+Na-2H]- 208.93320 136.6
[M]+ 187.95798 144.4
[M]- 187.95908 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.