CID 19922980

685897-68-1

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=C(C(=NC(=N1)N)C)O
InChI
InChI=1S/C6H9N3O/c1-3-5(10)4(2)9-6(7)8-3/h10H,1-2H3,(H2,7,8,9)
InChIKey
BATVWQIPSVQPEI-UHFFFAOYSA-N
Compound name
2-amino-4,6-dimethylpyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.9
[M+Na]+ 162.06377 138.3
[M-H]- 138.06727 128.2
[M+NH4]+ 157.10837 146.6
[M+K]+ 178.03771 136.0
[M+H-H2O]+ 122.07181 121.6
[M+HCOO]- 184.07275 150.0
[M+CH3COO]- 198.08840 174.7
[M+Na-2H]- 160.04922 134.3
[M]+ 139.07400 126.8
[M]- 139.07510 126.8
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