CID 46927778
Ec 696-357-0
Structural Information
- Molecular Formula
- C16H25NO3
- SMILES
- CC(C)(C)C1=CC(=C(C=C1N)OC(=O)OC)C(C)(C)C
- InChI
- InChI=1S/C16H25NO3/c1-15(2,3)10-8-11(16(4,5)6)13(9-12(10)17)20-14(18)19-7/h8-9H,17H2,1-7H3
- InChIKey
- NEMQZDZEKFZZJT-UHFFFAOYSA-N
- Compound name
- (5-amino-2,4-ditert-butylphenyl) methyl carbonate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 280.19072 | 167.0 |
[M+Na]+ | 302.17266 | 174.3 |
[M-H]- | 278.17616 | 170.7 |
[M+NH4]+ | 297.21726 | 183.7 |
[M+K]+ | 318.14660 | 173.2 |
[M+H-H2O]+ | 262.18070 | 161.6 |
[M+HCOO]- | 324.18164 | 186.4 |
[M+CH3COO]- | 338.19729 | 204.6 |
[M+Na-2H]- | 300.15811 | 169.4 |
[M]+ | 279.18289 | 170.6 |
[M]- | 279.18399 | 170.6 |
Literature stripe
No literature data available for this compound.