CID 56936151
13,17-dimethylpentatetracontane
Structural Information
- Molecular Formula
- C47H96
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCCC(C)CCCCCCCCCCCC
- InChI
- InChI=1S/C47H96/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-43-47(4)45-41-44-46(3)42-39-37-35-33-16-14-12-10-8-6-2/h46-47H,5-45H2,1-4H3
- InChIKey
- RSTYGRSAOAXGLZ-UHFFFAOYSA-N
- Compound name
- 13,17-dimethylpentatetracontane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 661.75848 | 289.6 |
[M+Na]+ | 683.74042 | 294.1 |
[M-H]- | 659.74392 | 265.2 |
[M+NH4]+ | 678.78502 | 287.5 |
[M+K]+ | 699.71436 | 300.9 |
[M+H-H2O]+ | 643.74846 | 288.0 |
[M+HCOO]- | 705.74940 | 289.3 |
[M+CH3COO]- | 719.76505 | 287.6 |
[M+Na-2H]- | 681.72587 | 269.4 |
[M]+ | 660.75065 | 290.0 |
[M]- | 660.75175 | 290.0 |
Literature stripe
Patent stripe
No patent data available for this compound.