CID 113075
Benzoxazolium, 3-ethyl-2-methyl-5-sulfo-, inner salt
Structural Information
- Molecular Formula
- C10H12NO4S
- SMILES
- CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)O)C
- InChI
- InChI=1S/C10H11NO4S/c1-3-11-7(2)15-10-5-4-8(6-9(10)11)16(12,13)14/h4-6H,3H2,1-2H3/p+1
- InChIKey
- ALUDXYYRAJGCDC-UHFFFAOYSA-O
- Compound name
- 3-ethyl-2-methyl-1,3-benzoxazol-3-ium-5-sulfonic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 243.05598 | 146.7 |
[M+Na]+ | 265.03792 | 161.3 |
[M+NH4]+ | 260.08252 | 154.9 |
[M+K]+ | 281.01186 | 157.7 |
[M-H]- | 241.04142 | 149.5 |
[M+Na-2H]- | 263.02337 | 151.6 |
[M]+ | 242.04815 | 150.4 |
[M]- | 242.04925 | 150.4 |
Literature stripe
No literature data available for this compound.