CID 117779334
1-cyclopropyl-4-isocyanatobenzene
Structural Information
- Molecular Formula
- C10H9NO
- SMILES
- C1CC1C2=CC=C(C=C2)N=C=O
- InChI
- InChI=1S/C10H9NO/c12-7-11-10-5-3-9(4-6-10)8-1-2-8/h3-6,8H,1-2H2
- InChIKey
- VWOOCUCYLRCKDX-UHFFFAOYSA-N
- Compound name
- 1-cyclopropyl-4-isocyanatobenzene
- 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.