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
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 |