CID 54595036
4-isocyanatocyclopent-1-ene
Structural Information
- Molecular Formula
- C6H7NO
- SMILES
- C1C=CCC1N=C=O
- InChI
- InChI=1S/C6H7NO/c8-5-7-6-3-1-2-4-6/h1-2,6H,3-4H2
- InChIKey
- LGVOMWADJDNSQE-UHFFFAOYSA-N
- Compound name
- 4-isocyanatocyclopentene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 110.06004 | 121.2 |
[M+Na]+ | 132.04198 | 131.7 |
[M+NH4]+ | 127.08659 | 130.3 |
[M+K]+ | 148.01592 | 127.1 |
[M-H]- | 108.04549 | 123.3 |
[M+Na-2H]- | 130.02743 | 127.4 |
[M]+ | 109.05222 | 123.0 |
[M]- | 109.05331 | 123.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.