CID 77859
P-nitrophenyl pivalate
Structural Information
- Molecular Formula
- C11H13NO4
- SMILES
- CC(C)(C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C11H13NO4/c1-11(2,3)10(13)16-9-6-4-8(5-7-9)12(14)15/h4-7H,1-3H3
- InChIKey
- QADVJDGFQGNSIF-UHFFFAOYSA-N
- Compound name
- (4-nitrophenyl) 2,2-dimethylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 224.09174 | 147.0 |
[M+Na]+ | 246.07368 | 153.9 |
[M-H]- | 222.07718 | 151.1 |
[M+NH4]+ | 241.11828 | 164.7 |
[M+K]+ | 262.04762 | 149.2 |
[M+H-H2O]+ | 206.08172 | 146.1 |
[M+HCOO]- | 268.08266 | 170.3 |
[M+CH3COO]- | 282.09831 | 182.4 |
[M+Na-2H]- | 244.05913 | 154.5 |
[M]+ | 223.08391 | 147.8 |
[M]- | 223.08501 | 147.8 |