CID 55263912

(5-chloropyrimidin-2-yl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

144.00903 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.016306 123.1
[M+Na]+ 166.998248 133.5
[M-H]- 143.001754 122.9
[M+NH4]+ 162.042853 142.3
[M+K]+ 182.972188 130.0
[M+H-H2O]+ 127.006290 117.3
[M+HCOO]- 189.007231 140.4
[M+CH3COO]- 203.022881 169.0
[M+Na-2H]- 164.983696 131.9
[M]+ 144.00848142 124.3
[M]- 144.00957858 124.3
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