CID 21298145

(2-phenylpyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C11H10N2O
SMILES
C1=CC=C(C=C1)C2=NC=C(C=N2)CO
InChI
InChI=1S/C11H10N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-7,14H,8H2
InChIKey
DJEBODXMCJKLPH-UHFFFAOYSA-N
Compound name
(2-phenylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

186.07932 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.9
[M+Na]+ 209.06854 147.4
[M-H]- 185.07204 141.7
[M+NH4]+ 204.11314 155.0
[M+K]+ 225.04248 143.3
[M+H-H2O]+ 169.07658 130.6
[M+HCOO]- 231.07752 160.3
[M+CH3COO]- 245.09317 151.5
[M+Na-2H]- 207.05399 147.6
[M]+ 186.07877 137.8
[M]- 186.07987 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe