CID 165778504
Schembl27927979
Structural Information
- Molecular Formula
- C12H12O3
- SMILES
- COC(=O)C1=CC=C(C=C1)C2(CC2)C=O
- InChI
- InChI=1S/C12H12O3/c1-15-11(14)9-2-4-10(5-3-9)12(8-13)6-7-12/h2-5,8H,6-7H2,1H3
- InChIKey
- KBFBMTOOJREYKK-UHFFFAOYSA-N
- Compound name
- methyl 4-(1-formylcyclopropyl)benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.08592 | 143.8 |
[M+Na]+ | 227.06786 | 153.7 |
[M-H]- | 203.07136 | 151.9 |
[M+NH4]+ | 222.11246 | 160.0 |
[M+K]+ | 243.04180 | 151.9 |
[M+H-H2O]+ | 187.07590 | 138.2 |
[M+HCOO]- | 249.07684 | 167.5 |
[M+CH3COO]- | 263.09249 | 187.2 |
[M+Na-2H]- | 225.05331 | 150.0 |
[M]+ | 204.07809 | 148.9 |
[M]- | 204.07919 | 148.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.