CID 429640
Methyl bicyclo[2.1.1]hexane-5-carboxylate
Structural Information
- Molecular Formula
- C8H12O2
- SMILES
- COC(=O)C1C2CCC1C2
- InChI
- InChI=1S/C8H12O2/c1-10-8(9)7-5-2-3-6(7)4-5/h5-7H,2-4H2,1H3
- InChIKey
- QOEWQLUGTNSPSI-UHFFFAOYSA-N
- Compound name
- methyl bicyclo[2.1.1]hexane-5-carboxylate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 141.09100 | 134.0 |
[M+Na]+ | 163.07294 | 139.9 |
[M-H]- | 139.07644 | 135.4 |
[M+NH4]+ | 158.11754 | 156.3 |
[M+K]+ | 179.04688 | 142.1 |
[M+H-H2O]+ | 123.08098 | 127.5 |
[M+HCOO]- | 185.08192 | 152.2 |
[M+CH3COO]- | 199.09757 | 180.0 |
[M+Na-2H]- | 161.05839 | 139.7 |
[M]+ | 140.08317 | 147.2 |
[M]- | 140.08427 | 147.2 |
Literature stripe
Patent stripe
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