CID 26150
Brn 1388403
Structural Information
- Molecular Formula
- C16H25NO4
- SMILES
- CC1C(OC2=CC=CC=C2O1)C(CNCCCCOC)O
- InChI
- InChI=1S/C16H25NO4/c1-12-16(13(18)11-17-9-5-6-10-19-2)21-15-8-4-3-7-14(15)20-12/h3-4,7-8,12-13,16-18H,5-6,9-11H2,1-2H3
- InChIKey
- SQCGIVRZLBGFFN-UHFFFAOYSA-N
- Compound name
- 2-(4-methoxybutylamino)-1-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 296.18562 | 172.0 |
[M+Na]+ | 318.16756 | 175.9 |
[M-H]- | 294.17106 | 175.3 |
[M+NH4]+ | 313.21216 | 184.7 |
[M+K]+ | 334.14150 | 175.6 |
[M+H-H2O]+ | 278.17560 | 164.5 |
[M+HCOO]- | 340.17654 | 188.6 |
[M+CH3COO]- | 354.19219 | 204.7 |
[M+Na-2H]- | 316.15301 | 176.7 |
[M]+ | 295.17779 | 174.9 |
[M]- | 295.17889 | 174.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.