CID 29524
19262-20-5
Structural Information
- Molecular Formula
- C12H18
- SMILES
- CC(C1=CC=CC=C1)C(C)(C)C
- InChI
- InChI=1S/C12H18/c1-10(12(2,3)4)11-8-6-5-7-9-11/h5-10H,1-4H3
- InChIKey
- UYOAOYYUSXVILM-UHFFFAOYSA-N
- Compound name
- 3,3-dimethylbutan-2-ylbenzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 163.14813 | 137.2 |
[M+Na]+ | 185.13007 | 143.7 |
[M-H]- | 161.13357 | 140.8 |
[M+NH4]+ | 180.17467 | 158.3 |
[M+K]+ | 201.10401 | 142.1 |
[M+H-H2O]+ | 145.13811 | 132.1 |
[M+HCOO]- | 207.13905 | 158.3 |
[M+CH3COO]- | 221.15470 | 181.1 |
[M+Na-2H]- | 183.11552 | 143.4 |
[M]+ | 162.14030 | 137.1 |
[M]- | 162.14140 | 137.1 |