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

1377
Patents

139.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.1
[M+Na]+ 162.06377 137.8
[M-H]- 138.06727 127.4
[M+NH4]+ 157.10837 145.7
[M+K]+ 178.03771 134.8
[M+H-H2O]+ 122.07181 120.8
[M+HCOO]- 184.07275 149.3
[M+CH3COO]- 198.08840 173.9
[M+Na-2H]- 160.04922 133.5
[M]+ 139.07400 125.2
[M]- 139.07510 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