CID 10942489
35408-03-8
Structural Information
- Molecular Formula
- C9H12O
- SMILES
- CC1([C@@H]2C[C@H]1C(=O)C=C2)C
- InChI
- InChI=1S/C9H12O/c1-9(2)6-3-4-8(10)7(9)5-6/h3-4,6-7H,5H2,1-2H3/t6-,7-/m0/s1
- InChIKey
- NNPXUZFTLBPVNP-BQBZGAKWSA-N
- Compound name
- (1R,5R)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 137.09610 | 136.1 |
[M+Na]+ | 159.07804 | 143.8 |
[M-H]- | 135.08154 | 136.5 |
[M+NH4]+ | 154.12264 | 158.1 |
[M+K]+ | 175.05198 | 144.6 |
[M+H-H2O]+ | 119.08608 | 128.7 |
[M+HCOO]- | 181.08702 | 151.6 |
[M+CH3COO]- | 195.10267 | 182.7 |
[M+Na-2H]- | 157.06349 | 147.1 |
[M]+ | 136.08827 | 148.6 |
[M]- | 136.08937 | 148.6 |