CID 56936153
13,17-dimethyltritetracontane
Structural Information
- Molecular Formula
- C45H92
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCC
- InChI
- InChI=1S/C45H92/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-41-45(4)43-39-42-44(3)40-37-35-33-31-16-14-12-10-8-6-2/h44-45H,5-43H2,1-4H3
- InChIKey
- MTZMODVLJPKVMJ-UHFFFAOYSA-N
- Compound name
- 13,17-dimethyltritetracontane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 633.72718 | 283.1 |
[M+Na]+ | 655.70912 | 287.9 |
[M-H]- | 631.71262 | 259.5 |
[M+NH4]+ | 650.75372 | 281.0 |
[M+K]+ | 671.68306 | 293.9 |
[M+H-H2O]+ | 615.71716 | 281.7 |
[M+HCOO]- | 677.71810 | 283.5 |
[M+CH3COO]- | 691.73375 | 282.3 |
[M+Na-2H]- | 653.69457 | 263.7 |
[M]+ | 632.71935 | 283.6 |
[M]- | 632.72045 | 283.6 |
Literature stripe
Patent stripe
No patent data available for this compound.