CID 739183
40724-67-2
Structural Information
- Molecular Formula
- C10H14O3
- SMILES
- CC1([C@@H]2CC[C@]1(C(=O)C2)C(=O)O)C
- InChI
- InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
- InChIKey
- WDODWBQJVMBHCO-LDWIPMOCSA-N
- Compound name
- (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 183.10158 | 140.1 |
[M+Na]+ | 205.08352 | 147.5 |
[M+NH4]+ | 200.12812 | 150.8 |
[M+K]+ | 221.05746 | 143.3 |
[M-H]- | 181.08702 | 138.6 |
[M+Na-2H]- | 203.06897 | 142.7 |
[M]+ | 182.09375 | 140.6 |
[M]- | 182.09485 | 140.6 |