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]+ 152.070596 206.5
[M+Na]+ 174.052538 205.6
[M-H]- 150.056044 205.8
[M+NH4]+ 169.097143 205.9
[M+K]+ 190.026478 205.6
[M+H-H2O]+ 134.060580 202.0
[M+HCOO]- 196.061521 206.2
[M+CH3COO]- 210.077171 206.5
[M+Na-2H]- 172.037986 207.0
[M]+ 151.06277142 206.0
[M]- 151.06386858 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.