CID 11005
Tetradecanoic acid
Structural Information
- Molecular Formula
- C14H28O2
- SMILES
- CCCCCCCCCCCCCC(=O)O
- InChI
- InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
- InChIKey
- TUNFSRHWOTWDNC-UHFFFAOYSA-N
- Compound name
- tetradecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.21620 | 161.3 |
[M+Na]+ | 251.19814 | 164.9 |
[M-H]- | 227.20164 | 158.8 |
[M+NH4]+ | 246.24274 | 178.8 |
[M+K]+ | 267.17208 | 162.4 |
[M+H-H2O]+ | 211.20618 | 155.5 |
[M+HCOO]- | 273.20712 | 180.7 |
[M+CH3COO]- | 287.22277 | 192.5 |
[M+Na-2H]- | 249.18359 | 162.3 |
[M]+ | 228.20837 | 165.3 |
[M]- | 228.20947 | 165.3 |