CID 135592941

14278-61-6

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=C(N=C(NC1=O)C)N
InChI
InChI=1S/C6H9N3O/c1-3-5(7)8-4(2)9-6(3)10/h1-2H3,(H3,7,8,9,10)
InChIKey
FTWYAOBHRPLHQG-UHFFFAOYSA-N
Compound name
4-amino-2,5-dimethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.07455 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.1
[M+Na]+ 162.063768 137.8
[M-H]- 138.067274 127.4
[M+NH4]+ 157.108373 145.7
[M+K]+ 178.037708 134.8
[M+H-H2O]+ 122.071810 120.8
[M+HCOO]- 184.072751 149.3
[M+CH3COO]- 198.088401 173.9
[M+Na-2H]- 160.049216 133.5
[M]+ 139.07400142 125.2
[M]- 139.07509858 125.2
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