CID 93494335
2761444-24-8
Structural Information
- Molecular Formula
- C9H13ClO3
- SMILES
- COC(=O)[C@@H]1CC[C@@H](C1)C(=O)CCl
- InChI
- InChI=1S/C9H13ClO3/c1-13-9(12)7-3-2-6(4-7)8(11)5-10/h6-7H,2-5H2,1H3/t6-,7+/m0/s1
- InChIKey
- RNUMHXXTMMCVJT-NKWVEPMBSA-N
- Compound name
- methyl (1R,3S)-3-(2-chloroacetyl)cyclopentane-1-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.06261 | 144.0 |
[M+Na]+ | 227.04455 | 151.0 |
[M-H]- | 203.04805 | 147.2 |
[M+NH4]+ | 222.08915 | 165.5 |
[M+K]+ | 243.01849 | 148.8 |
[M+H-H2O]+ | 187.05259 | 139.7 |
[M+HCOO]- | 249.05353 | 160.8 |
[M+CH3COO]- | 263.06918 | 182.4 |
[M+Na-2H]- | 225.03000 | 144.4 |
[M]+ | 204.05478 | 145.5 |
[M]- | 204.05588 | 145.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.