CID 150175
106268-97-7
Structural Information
- Molecular Formula
- C11H11NO5
- SMILES
- C[C@H]1[C@@H](O1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
- InChI
- InChI=1S/C11H11NO5/c1-7-10(17-7)6-16-11(13)8-2-4-9(5-3-8)12(14)15/h2-5,7,10H,6H2,1H3/t7-,10-/m0/s1
- InChIKey
- BPOPJHHLTDEVBN-XVKPBYJWSA-N
- Compound name
- [(2S,3S)-3-methyloxiran-2-yl]methyl 4-nitrobenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 238.07100 | 145.0 |
[M+Na]+ | 260.05294 | 153.8 |
[M-H]- | 236.05644 | 153.6 |
[M+NH4]+ | 255.09754 | 156.1 |
[M+K]+ | 276.02688 | 148.7 |
[M+H-H2O]+ | 220.06098 | 142.6 |
[M+HCOO]- | 282.06192 | 169.2 |
[M+CH3COO]- | 296.07757 | 188.1 |
[M+Na-2H]- | 258.03839 | 152.4 |
[M]+ | 237.06317 | 149.7 |
[M]- | 237.06427 | 149.7 |
Literature stripe
No literature data available for this compound.