CID 117241
25451-52-9
Structural Information
- Molecular Formula
- C8H17NO3
- SMILES
- CCCCC(CO)COC(=O)N
- InChI
- InChI=1S/C8H17NO3/c1-2-3-4-7(5-10)6-12-8(9)11/h7,10H,2-6H2,1H3,(H2,9,11)
- InChIKey
- YLQRXLUMXFSAAG-UHFFFAOYSA-N
- Compound name
- 2-(hydroxymethyl)hexyl carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.12813 | 141.8 |
[M+Na]+ | 198.11007 | 146.7 |
[M-H]- | 174.11357 | 139.8 |
[M+NH4]+ | 193.15467 | 160.7 |
[M+K]+ | 214.08401 | 146.3 |
[M+H-H2O]+ | 158.11811 | 136.4 |
[M+HCOO]- | 220.11905 | 162.7 |
[M+CH3COO]- | 234.13470 | 180.9 |
[M+Na-2H]- | 196.09552 | 143.7 |
[M]+ | 175.12030 | 142.2 |
[M]- | 175.12140 | 142.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.