CID 11255
2,2,3-trimethylpentane
Structural Information
- Molecular Formula
- C8H18
- SMILES
- CCC(C)C(C)(C)C
- InChI
- InChI=1S/C8H18/c1-6-7(2)8(3,4)5/h7H,6H2,1-5H3
- InChIKey
- XTDQDBVBDLYELW-UHFFFAOYSA-N
- Compound name
- 2,2,3-trimethylpentane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 115.14813 | 127.1 |
[M+Na]+ | 137.13007 | 133.9 |
[M-H]- | 113.13358 | 127.7 |
[M+NH4]+ | 132.17468 | 150.4 |
[M+K]+ | 153.10401 | 134.2 |
[M+H-H2O]+ | 97.138114 | 123.6 |
[M+HCOO]- | 159.13906 | 147.8 |
[M+CH3COO]- | 173.15470 | 174.0 |
[M+Na-2H]- | 135.11552 | 132.7 |
[M]+ | 114.14031 | 128.0 |
[M]- | 114.14140 | 128.0 |