CID 3047764
2,6,10-trimethylundecanoic acid
Structural Information
- Molecular Formula
- C14H28O2
- SMILES
- CC(C)CCCC(C)CCCC(C)C(=O)O
- InChI
- InChI=1S/C14H28O2/c1-11(2)7-5-8-12(3)9-6-10-13(4)14(15)16/h11-13H,5-10H2,1-4H3,(H,15,16)
- InChIKey
- QFIWFUDXERFOIY-UHFFFAOYSA-N
- Compound name
- 2,6,10-trimethylundecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.21620 | 162.0 |
[M+Na]+ | 251.19814 | 165.0 |
[M-H]- | 227.20164 | 159.8 |
[M+NH4]+ | 246.24274 | 179.4 |
[M+K]+ | 267.17208 | 164.0 |
[M+H-H2O]+ | 211.20618 | 156.6 |
[M+HCOO]- | 273.20712 | 178.4 |
[M+CH3COO]- | 287.22277 | 195.1 |
[M+Na-2H]- | 249.18359 | 159.3 |
[M]+ | 228.20837 | 164.0 |
[M]- | 228.20947 | 164.0 |