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

1
Patents

171.06842 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 131.1
[M+Na]+ 194.05764 139.5
[M-H]- 170.06114 132.9
[M+NH4]+ 189.10224 150.8
[M+K]+ 210.03158 136.3
[M+H-H2O]+ 154.06568 124.6
[M+HCOO]- 216.06662 148.2
[M+CH3COO]- 230.08227 144.0
[M+Na-2H]- 192.04309 143.3
[M]+ 171.06787 129.4
[M]- 171.06897 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

No patent data available for this compound.