CID 102664
1653-16-3
Structural Information
- Molecular Formula
- C8H17I
- SMILES
- CCCCC(CC)CI
- InChI
- InChI=1S/C8H17I/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
- InChIKey
- WNPGSEJRPYSCDQ-UHFFFAOYSA-N
- Compound name
- 3-(iodomethyl)heptane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 241.04478 | 142.8 |
[M+Na]+ | 263.02672 | 141.8 |
[M-H]- | 239.03022 | 136.1 |
[M+NH4]+ | 258.07132 | 159.9 |
[M+K]+ | 279.00066 | 147.0 |
[M+H-H2O]+ | 223.03476 | 134.6 |
[M+HCOO]- | 285.03570 | 159.7 |
[M+CH3COO]- | 299.05135 | 185.9 |
[M+Na-2H]- | 261.01217 | 134.8 |
[M]+ | 240.03695 | 141.8 |
[M]- | 240.03805 | 141.8 |