CID 169812
2-butanone, 3-methyl-4-(4-(1-methylethyl)cyclohexyl)-
Structural Information
- Molecular Formula
- C14H26O
- SMILES
- CC(C)C1CCC(CC1)CC(C)C(=O)C
- InChI
- InChI=1S/C14H26O/c1-10(2)14-7-5-13(6-8-14)9-11(3)12(4)15/h10-11,13-14H,5-9H2,1-4H3
- InChIKey
- AOQWZIUVPJRSBX-UHFFFAOYSA-N
- Compound name
- 3-methyl-4-(4-propan-2-ylcyclohexyl)butan-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 211.20564 | 153.8 |
[M+Na]+ | 233.18758 | 156.5 |
[M-H]- | 209.19108 | 156.0 |
[M+NH4]+ | 228.23218 | 172.4 |
[M+K]+ | 249.16152 | 155.4 |
[M+H-H2O]+ | 193.19562 | 148.0 |
[M+HCOO]- | 255.19656 | 169.7 |
[M+CH3COO]- | 269.21221 | 192.5 |
[M+Na-2H]- | 231.17303 | 152.0 |
[M]+ | 210.19781 | 150.4 |
[M]- | 210.19891 | 150.4 |
Literature stripe
No literature data available for this compound.