CID 54150633

(2-chloropyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C5H5ClN2O
SMILES
C1=C(C=NC(=N1)Cl)CO
InChI
InChI=1S/C5H5ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-2,9H,3H2
InChIKey
OHMILAMAADHENX-UHFFFAOYSA-N
Compound name
(2-chloropyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

144.00903 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.01631 123.6
[M+Na]+ 166.99825 138.1
[M+NH4]+ 162.04285 132.2
[M+K]+ 182.97219 131.6
[M-H]- 143.00175 124.5
[M+Na-2H]- 164.98370 131.4
[M]+ 144.00848 126.2
[M]- 144.00958 126.2
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

patents stripe