CID 3087472
Crl 41378
Structural Information
- Molecular Formula
- C12H14N2O
- SMILES
- CC(=O)N1CC(CN=C1)C2=CC=CC=C2
- InChI
- InChI=1S/C12H14N2O/c1-10(15)14-8-12(7-13-9-14)11-5-3-2-4-6-11/h2-6,9,12H,7-8H2,1H3
- InChIKey
- XCJATRYZNFIDNY-UHFFFAOYSA-N
- Compound name
- 1-(5-phenyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 203.11789 | 145.9 |
[M+Na]+ | 225.09983 | 159.6 |
[M+NH4]+ | 220.14443 | 154.1 |
[M+K]+ | 241.07377 | 152.6 |
[M-H]- | 201.10333 | 149.1 |
[M+Na-2H]- | 223.08528 | 154.3 |
[M]+ | 202.11006 | 148.7 |
[M]- | 202.11116 | 148.7 |
Literature stripe
No literature data available for this compound.