CID 3611391
286955-45-1
Structural Information
- Molecular Formula
- C9H16N2O2S
- SMILES
- CC(C)(C)OC(=O)NCCCN=C=S
- InChI
- InChI=1S/C9H16N2O2S/c1-9(2,3)13-8(12)11-6-4-5-10-7-14/h4-6H2,1-3H3,(H,11,12)
- InChIKey
- CLFBORGOMXNXFH-UHFFFAOYSA-N
- Compound name
- tert-butyl N-(3-isothiocyanatopropyl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.10053 | 152.8 |
[M+Na]+ | 239.08247 | 159.5 |
[M+NH4]+ | 234.12707 | 158.9 |
[M+K]+ | 255.05641 | 153.1 |
[M-H]- | 215.08597 | 151.7 |
[M+Na-2H]- | 237.06792 | 154.3 |
[M]+ | 216.09270 | 153.5 |
[M]- | 216.09380 | 153.5 |