CID 165311
5389-27-5
Structural Information
- Molecular Formula
- C12H17N2O3
- SMILES
- CC1(CC(C(N1[O])(C)C)N2C(=O)C=CC2=O)C
- InChI
- InChI=1S/C12H17N2O3/c1-11(2)7-8(12(3,4)14(11)17)13-9(15)5-6-10(13)16/h5-6,8H,7H2,1-4H3
- InChIKey
- HGNHBHXFYUYUIA-UHFFFAOYSA-N
- Compound name
- None
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 238.13120 | 152.4 |
[M+Na]+ | 260.11314 | 162.1 |
[M+NH4]+ | 255.15774 | 161.5 |
[M+K]+ | 276.08708 | 157.9 |
[M-H]- | 236.11664 | 152.7 |
[M+Na-2H]- | 258.09859 | 157.9 |
[M]+ | 237.12337 | 153.9 |
[M]- | 237.12447 | 153.9 |