CID 3061070
5-(1-(4-chloro-3-methylphenoxy)ethyl)-1,3,4-oxadiazol-2-amine
Structural Information
- Molecular Formula
- C11H12ClN3O2
- SMILES
- CC1=C(C=CC(=C1)OC(C)C2=NN=C(O2)N)Cl
- InChI
- InChI=1S/C11H12ClN3O2/c1-6-5-8(3-4-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15)
- InChIKey
- PPMZGXZAGGZWRE-UHFFFAOYSA-N
- Compound name
- 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 254.06908 | 155.1 |
[M+Na]+ | 276.05102 | 165.2 |
[M-H]- | 252.05452 | 160.1 |
[M+NH4]+ | 271.09562 | 170.6 |
[M+K]+ | 292.02496 | 162.2 |
[M+H-H2O]+ | 236.05906 | 147.4 |
[M+HCOO]- | 298.06000 | 172.8 |
[M+CH3COO]- | 312.07565 | 194.7 |
[M+Na-2H]- | 274.03647 | 158.3 |
[M]+ | 253.06125 | 159.2 |
[M]- | 253.06235 | 159.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.