CID 61100705
1-(4-bromophenyl)-3,3-dimethylbutan-1-ol
Structural Information
- Molecular Formula
- C12H17BrO
- SMILES
- CC(C)(C)CC(C1=CC=C(C=C1)Br)O
- InChI
- InChI=1S/C12H17BrO/c1-12(2,3)8-11(14)9-4-6-10(13)7-5-9/h4-7,11,14H,8H2,1-3H3
- InChIKey
- VMEIUKZONFDIJY-UHFFFAOYSA-N
- Compound name
- 1-(4-bromophenyl)-3,3-dimethylbutan-1-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 257.05358 | 153.8 |
[M+Na]+ | 279.03552 | 163.8 |
[M-H]- | 255.03902 | 158.7 |
[M+NH4]+ | 274.08012 | 174.1 |
[M+K]+ | 295.00946 | 152.6 |
[M+H-H2O]+ | 239.04356 | 154.4 |
[M+HCOO]- | 301.04450 | 171.2 |
[M+CH3COO]- | 315.06015 | 191.4 |
[M+Na-2H]- | 277.02097 | 159.4 |
[M]+ | 256.04575 | 172.1 |
[M]- | 256.04685 | 172.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.