CID 135402388

3977-23-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1594
Patents

139.07455 Da
Monoisotopic Mass

-0.6
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

literature stripe

Patent stripe

patents stripe