CID 71619417
1403030-29-4
Structural Information
- Molecular Formula
- C10H10ClNO
- SMILES
- CN1CCC2=C(C1=O)C=C(C=C2)Cl
- InChI
- InChI=1S/C10H10ClNO/c1-12-5-4-7-2-3-8(11)6-9(7)10(12)13/h2-3,6H,4-5H2,1H3
- InChIKey
- QWMNJWPHVFKOBD-UHFFFAOYSA-N
- Compound name
- 7-chloro-2-methyl-3,4-dihydroisoquinolin-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.05237 | 137.8 |
[M+Na]+ | 218.03431 | 148.1 |
[M-H]- | 194.03781 | 141.1 |
[M+NH4]+ | 213.07891 | 158.4 |
[M+K]+ | 234.00825 | 143.6 |
[M+H-H2O]+ | 178.04235 | 132.3 |
[M+HCOO]- | 240.04329 | 153.5 |
[M+CH3COO]- | 254.05894 | 183.5 |
[M+Na-2H]- | 216.01976 | 144.2 |
[M]+ | 195.04454 | 138.3 |
[M]- | 195.04564 | 138.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.