CID 12542328
O-propan-2-yl butylcarbamothioate
Structural Information
- Molecular Formula
- C8H17NOS
- SMILES
- CCCCNC(=S)OC(C)C
- InChI
- InChI=1S/C8H17NOS/c1-4-5-6-9-8(11)10-7(2)3/h7H,4-6H2,1-3H3,(H,9,11)
- InChIKey
- AFRDNVFZWUCVKX-UHFFFAOYSA-N
- Compound name
- O-propan-2-yl N-butylcarbamothioate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 176.11037 | 141.6 |
[M+Na]+ | 198.09231 | 149.6 |
[M+NH4]+ | 193.13691 | 149.3 |
[M+K]+ | 214.06625 | 142.7 |
[M-H]- | 174.09581 | 141.4 |
[M+Na-2H]- | 196.07776 | 143.6 |
[M]+ | 175.10254 | 142.8 |
[M]- | 175.10364 | 142.8 |
Literature stripe
No literature data available for this compound.