CID 39377
Nekalin
Structural Information
- Molecular Formula
- C18H24O3S
- SMILES
- CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C(C)(C)C)S(=O)(=O)O
- InChI
- InChI=1S/C18H24O3S/c1-17(2,3)14-8-7-12-10-15(18(4,5)6)16(22(19,20)21)11-13(12)9-14/h7-11H,1-6H3,(H,19,20,21)
- InChIKey
- GHJVBQHTTKUXFY-UHFFFAOYSA-N
- Compound name
- 3,7-ditert-butylnaphthalene-2-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 321.15190 | 174.4 |
[M+Na]+ | 343.13384 | 182.9 |
[M-H]- | 319.13734 | 178.0 |
[M+NH4]+ | 338.17844 | 190.5 |
[M+K]+ | 359.10778 | 178.8 |
[M+H-H2O]+ | 303.14188 | 169.4 |
[M+HCOO]- | 365.14282 | 185.5 |
[M+CH3COO]- | 379.15847 | 205.2 |
[M+Na-2H]- | 341.11929 | 179.3 |
[M]+ | 320.14407 | 179.2 |
[M]- | 320.14517 | 179.2 |
Literature stripe
No literature data available for this compound.