CID 91812197

4-(dimethylamino)pyrimidin-5-ol

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN(C)C1=NC=NC=C1O
InChI
InChI=1S/C6H9N3O/c1-9(2)6-5(10)3-7-4-8-6/h3-4,10H,1-2H3
InChIKey
SOGRSFRXDSKWFT-UHFFFAOYSA-N
Compound name
4-(dimethylamino)pyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.7
[M+Na]+ 162.063768 135.3
[M-H]- 138.067274 128.2
[M+NH4]+ 157.108373 145.6
[M+K]+ 178.037708 134.7
[M+H-H2O]+ 122.071810 119.6
[M+HCOO]- 184.072751 149.9
[M+CH3COO]- 198.088401 176.4
[M+Na-2H]- 160.049216 135.0
[M]+ 139.07400142 127.0
[M]- 139.07509858 127.0
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.