CID 817200

1635-28-5

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN(C)C1=NC=CC(=O)N1
InChI
InChI=1S/C6H9N3O/c1-9(2)6-7-4-3-5(10)8-6/h3-4H,1-2H3,(H,7,8,10)
InChIKey
MIEQNBVNRFGOQC-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

139.07455 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 125.9
[M+Na]+ 162.063768 134.7
[M-H]- 138.067274 127.4
[M+NH4]+ 157.108373 144.8
[M+K]+ 178.037708 133.6
[M+H-H2O]+ 122.071810 118.8
[M+HCOO]- 184.072751 149.3
[M+CH3COO]- 198.088401 175.6
[M+Na-2H]- 160.049216 134.2
[M]+ 139.07400142 125.5
[M]- 139.07509858 125.5
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