CID 443054
Brassicanal a
Structural Information
- Molecular Formula
- C10H9NOS
- SMILES
- CSC1=C(C2=CC=CC=C2N1)C=O
- InChI
- InChI=1S/C10H9NOS/c1-13-10-8(6-12)7-4-2-3-5-9(7)11-10/h2-6,11H,1H3
- InChIKey
- QSSMEVWVRIEBSR-UHFFFAOYSA-N
- Compound name
- 2-methylsulfanyl-1H-indole-3-carbaldehyde
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 192.04776 | 138.8 |
[M+Na]+ | 214.02970 | 152.5 |
[M+NH4]+ | 209.07430 | 148.2 |
[M+K]+ | 230.00364 | 144.9 |
[M-H]- | 190.03320 | 140.8 |
[M+Na-2H]- | 212.01515 | 144.7 |
[M]+ | 191.03993 | 141.8 |
[M]- | 191.04103 | 141.8 |