CID 255285
Trans-2-phenylcyclopropyl isocyanate
Structural Information
- Molecular Formula
- C10H9NO
- SMILES
- C1[C@H]([C@@H]1N=C=O)C2=CC=CC=C2
- InChI
- InChI=1S/C10H9NO/c12-7-11-10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6H2/t9-,10+/m0/s1
- InChIKey
- DYUXVJAFBUZREW-VHSXEESVSA-N
- Compound name
- [(1S,2R)-2-isocyanatocyclopropyl]benzene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 160.07570 | 134.3 |
[M+Na]+ | 182.05764 | 148.8 |
[M+NH4]+ | 177.10224 | 144.1 |
[M+K]+ | 198.03158 | 142.8 |
[M-H]- | 158.06114 | 145.6 |
[M+Na-2H]- | 180.04309 | 145.7 |
[M]+ | 159.06787 | 140.6 |
[M]- | 159.06897 | 140.6 |
Literature stripe
No literature data available for this compound.