CID 89557264
Tert-butyl 2-isocyanato-2-methylpropanoate
Structural Information
- Molecular Formula
- C9H15NO3
- SMILES
- CC(C)(C)OC(=O)C(C)(C)N=C=O
- InChI
- InChI=1S/C9H15NO3/c1-8(2,3)13-7(12)9(4,5)10-6-11/h1-5H3
- InChIKey
- ITSKACICFSDKTO-UHFFFAOYSA-N
- Compound name
- tert-butyl 2-isocyanato-2-methylpropanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 186.11248 | 139.4 |
[M+Na]+ | 208.09442 | 146.8 |
[M-H]- | 184.09792 | 141.5 |
[M+NH4]+ | 203.13902 | 160.1 |
[M+K]+ | 224.06836 | 147.6 |
[M+H-H2O]+ | 168.10246 | 135.3 |
[M+HCOO]- | 230.10340 | 162.1 |
[M+CH3COO]- | 244.11905 | 186.4 |
[M+Na-2H]- | 206.07987 | 146.4 |
[M]+ | 185.10465 | 143.5 |
[M]- | 185.10575 | 143.5 |
Literature stripe
No literature data available for this compound.