CID 118148726
1-isocyanatobicyclo[1.1.1]pentane
Structural Information
- Molecular Formula
- C6H7NO
- SMILES
- C1C2CC1(C2)N=C=O
- InChI
- InChI=1S/C6H7NO/c8-4-7-6-1-5(2-6)3-6/h5H,1-3H2
- InChIKey
- XAYRXPGXGIOXNX-UHFFFAOYSA-N
- Compound name
- 1-isocyanatobicyclo[1.1.1]pentane
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 110.06004 | 136.3 |
[M+Na]+ | 132.04198 | 133.8 |
[M+NH4]+ | 127.08659 | 135.8 |
[M+K]+ | 148.01592 | 132.3 |
[M-H]- | 108.04549 | 130.0 |
[M+Na-2H]- | 130.02743 | 133.1 |
[M]+ | 109.05222 | 131.4 |
[M]- | 109.05331 | 131.4 |
Literature stripe
No literature data available for this compound.