CID 135420611

40778-16-3

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=C(N=C(NC1=O)N(C)C)C
InChI
InChI=1S/C8H13N3O/c1-5-6(2)9-8(11(3)4)10-7(5)12/h1-4H3,(H,9,10,12)
InChIKey
MUEHLDAHWSCFAG-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4,5-dimethyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

24
Patents

167.10587 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11315 134.7
[M+Na]+ 190.09509 144.6
[M-H]- 166.09859 136.7
[M+NH4]+ 185.13969 153.1
[M+K]+ 206.06903 142.9
[M+H-H2O]+ 150.10313 127.8
[M+HCOO]- 212.10407 157.4
[M+CH3COO]- 226.11972 184.1
[M+Na-2H]- 188.08054 140.5
[M]+ 167.10532 135.8
[M]- 167.10642 135.8
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