CID 23598215
91419-50-0
Structural Information
- Molecular Formula
- C9H16N2O2
- SMILES
- CC(C)(C)OC(=O)NCCCC#N
- InChI
- InChI=1S/C9H16N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-5,7H2,1-3H3,(H,11,12)
- InChIKey
- HATNBHAMKDNLMC-UHFFFAOYSA-N
- Compound name
- tert-butyl N-(3-cyanopropyl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 185.12847 | 143.4 |
[M+Na]+ | 207.11041 | 151.1 |
[M+NH4]+ | 202.15501 | 146.3 |
[M+K]+ | 223.08435 | 144.1 |
[M-H]- | 183.11391 | 134.9 |
[M+Na-2H]- | 205.09586 | 143.6 |
[M]+ | 184.12064 | 141.0 |
[M]- | 184.12174 | 141.0 |