CID 21890350
Cyclopentanecarbonyl isothiocyanate
Structural Information
- Molecular Formula
- C7H9NOS
- SMILES
- C1CCC(C1)C(=O)N=C=S
- InChI
- InChI=1S/C7H9NOS/c9-7(8-5-10)6-3-1-2-4-6/h6H,1-4H2
- InChIKey
- SGCJFQAAAFFOMR-UHFFFAOYSA-N
- Compound name
- cyclopentanecarbonyl isothiocyanate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 156.04776 | 133.5 |
[M+Na]+ | 178.02970 | 140.3 |
[M-H]- | 154.03320 | 138.3 |
[M+NH4]+ | 173.07430 | 157.0 |
[M+K]+ | 194.00364 | 138.7 |
[M+H-H2O]+ | 138.03774 | 128.0 |
[M+HCOO]- | 200.03868 | 153.4 |
[M+CH3COO]- | 214.05433 | 176.3 |
[M+Na-2H]- | 176.01515 | 134.6 |
[M]+ | 155.03993 | 132.5 |
[M]- | 155.04103 | 132.5 |
Literature stripe
No literature data available for this compound.