CID 545844
85363-04-8
Structural Information
- Molecular Formula
- C7H12N2O2
- SMILES
- CC(C)(C)OC(=O)NCC#N
- InChI
- InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
- InChIKey
- SMZKPZXYDDZDJG-UHFFFAOYSA-N
- Compound name
- tert-butyl N-(cyanomethyl)carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 157.09715 | 135.5 |
[M+Na]+ | 179.07909 | 143.6 |
[M+NH4]+ | 174.12369 | 138.7 |
[M+K]+ | 195.05303 | 136.9 |
[M-H]- | 155.08259 | 127.1 |
[M+Na-2H]- | 177.06454 | 136.1 |
[M]+ | 156.08932 | 133.1 |
[M]- | 156.09042 | 133.1 |