CID 80809
1-hexanone, 1-(4-methoxyphenyl)-
Structural Information
- Molecular Formula
- C13H18O2
- SMILES
- CCCCCC(=O)C1=CC=C(C=C1)OC
- InChI
- InChI=1S/C13H18O2/c1-3-4-5-6-13(14)11-7-9-12(15-2)10-8-11/h7-10H,3-6H2,1-2H3
- InChIKey
- GDNTZLJAPCYKJR-UHFFFAOYSA-N
- Compound name
- 1-(4-methoxyphenyl)hexan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 207.13796 | 147.3 |
[M+Na]+ | 229.11990 | 153.9 |
[M-H]- | 205.12340 | 150.6 |
[M+NH4]+ | 224.16450 | 166.4 |
[M+K]+ | 245.09384 | 152.0 |
[M+H-H2O]+ | 189.12794 | 141.1 |
[M+HCOO]- | 251.12888 | 170.2 |
[M+CH3COO]- | 265.14453 | 188.5 |
[M+Na-2H]- | 227.10535 | 151.4 |
[M]+ | 206.13013 | 150.6 |
[M]- | 206.13123 | 150.6 |