CID 107514
(1r,4r,6s)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
Structural Information
- Molecular Formula
- C10H16O
- SMILES
- C[C@@H]1C[C@H]2[C@H](C2(C)C)CC1=O
- InChI
- InChI=1S/C10H16O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m1/s1
- InChIKey
- ABSCYWMYRVUUIC-GJMOJQLCSA-N
- Compound name
- (1R,4R,6S)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 153.12740 | 133.8 |
[M+Na]+ | 175.10934 | 144.4 |
[M-H]- | 151.11284 | 139.7 |
[M+NH4]+ | 170.15394 | 153.8 |
[M+K]+ | 191.08328 | 142.3 |
[M+H-H2O]+ | 135.11738 | 129.6 |
[M+HCOO]- | 197.11832 | 153.5 |
[M+CH3COO]- | 211.13397 | 183.0 |
[M+Na-2H]- | 173.09479 | 139.6 |
[M]+ | 152.11957 | 135.9 |
[M]- | 152.12067 | 135.9 |
Literature stripe
No literature data available for this compound.