CID 3080684
12770-99-9
Structural Information
- Molecular Formula
- C13H9NO
- SMILES
- C1=CC2=CON=C3C=CC=CC3=C2C=C1
- InChI
- InChI=1S/C13H9NO/c1-2-6-11-10(5-1)9-15-14-13-8-4-3-7-12(11)13/h1-9H
- InChIKey
- LPABESDNBMVEQA-UHFFFAOYSA-N
- Compound name
- benzo[d][2,1]benzoxazepine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 196.07570 | 135.8 |
[M+Na]+ | 218.05764 | 146.6 |
[M-H]- | 194.06114 | 142.9 |
[M+NH4]+ | 213.10224 | 154.1 |
[M+K]+ | 234.03158 | 147.3 |
[M+H-H2O]+ | 178.06568 | 130.8 |
[M+HCOO]- | 240.06662 | 159.1 |
[M+CH3COO]- | 254.08227 | 150.4 |
[M+Na-2H]- | 216.04309 | 149.7 |
[M]+ | 195.06787 | 137.4 |
[M]- | 195.06897 | 137.4 |