CID 75834
4-nitrophenyl butyrate
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- CCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
- InChIKey
- DVDUMIQZEUTAGK-UHFFFAOYSA-N
- Compound name
- (4-nitrophenyl) butanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 142.7 |
[M+Na]+ | 232.05802 | 155.2 |
[M+NH4]+ | 227.10262 | 150.1 |
[M+K]+ | 248.03196 | 152.4 |
[M-H]- | 208.06152 | 145.1 |
[M+Na-2H]- | 230.04347 | 148.4 |
[M]+ | 209.06825 | 144.9 |
[M]- | 209.06935 | 144.9 |