CID 120206

2,6-methano-4h-1,4-benzoxazocine

Structural Information

Molecular Formula
C11H9NO
SMILES
C1C2=CNC=C1OC3=CC=CC=C23
InChI
InChI=1S/C11H9NO/c1-2-4-11-10(3-1)8-5-9(13-11)7-12-6-8/h1-4,6-7,12H,5H2
InChIKey
UIBGNLSOYHHJEE-UHFFFAOYSA-N
Compound name
8-oxa-11-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.06842 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 131.1
[M+Na]+ 194.057638 139.5
[M-H]- 170.061144 132.9
[M+NH4]+ 189.102243 150.8
[M+K]+ 210.031578 136.3
[M+H-H2O]+ 154.065680 124.6
[M+HCOO]- 216.066621 148.2
[M+CH3COO]- 230.082271 144.0
[M+Na-2H]- 192.043086 143.3
[M]+ 171.06787142 129.4
[M]- 171.06896858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe