CID 57656432
{4-[(oxan-4-yloxy)methyl]phenyl}methanamine
Structural Information
- Molecular Formula
- C13H19NO2
- SMILES
- C1COCCC1OCC2=CC=C(C=C2)CN
- InChI
- InChI=1S/C13H19NO2/c14-9-11-1-3-12(4-2-11)10-16-13-5-7-15-8-6-13/h1-4,13H,5-10,14H2
- InChIKey
- AFOAYZQLYGSYAE-UHFFFAOYSA-N
- Compound name
- [4-(oxan-4-yloxymethyl)phenyl]methanamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 222.14887 | 150.8 |
[M+Na]+ | 244.13081 | 154.9 |
[M-H]- | 220.13431 | 156.6 |
[M+NH4]+ | 239.17541 | 166.8 |
[M+K]+ | 260.10475 | 153.4 |
[M+H-H2O]+ | 204.13885 | 143.2 |
[M+HCOO]- | 266.13979 | 171.2 |
[M+CH3COO]- | 280.15544 | 189.4 |
[M+Na-2H]- | 242.11626 | 155.9 |
[M]+ | 221.14104 | 147.4 |
[M]- | 221.14214 | 147.4 |
Literature stripe
No literature data available for this compound.