CID 98784

(2,4-dimethylpyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C7H10N2O
SMILES
CC1=NC(=NC=C1CO)C
InChI
InChI=1S/C7H10N2O/c1-5-7(4-10)3-8-6(2)9-5/h3,10H,4H2,1-2H3
InChIKey
CLKRHIBHXHFDSI-UHFFFAOYSA-N
Compound name
(2,4-dimethylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

101
Patents

138.07932 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.5
[M+Na]+ 161.06854 141.2
[M+NH4]+ 156.11314 135.5
[M+K]+ 177.04248 135.2
[M-H]- 137.07204 128.3
[M+Na-2H]- 159.05399 134.4
[M]+ 138.07877 129.6
[M]- 138.07987 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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