CID 207778

Nsc 123487

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1C2=CC=C(CONO1)C=C2
InChI
InChI=1S/C8H9NO2/c1-2-8-4-3-7(1)5-10-9-11-6-8/h1-4,9H,5-6H2
InChIKey
JNFRUNXFIAGPSC-UHFFFAOYSA-N
Compound name
3,5-dioxa-4-azabicyclo[5.2.2]undeca-1(9),7,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 206.5
[M+Na]+ 174.05254 205.6
[M-H]- 150.05604 205.8
[M+NH4]+ 169.09714 205.9
[M+K]+ 190.02648 205.6
[M+H-H2O]+ 134.06058 202.0
[M+HCOO]- 196.06152 206.2
[M+CH3COO]- 210.07717 206.5
[M+Na-2H]- 172.03799 207.0
[M]+ 151.06277 206.0
[M]- 151.06387 206.0
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.