CID 341628

81094-63-5

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1C2CC3=CC=CC=C3C1OC(=O)N2
InChI
InChI=1S/C11H11NO2/c13-11-12-8-5-7-3-1-2-4-9(7)10(6-8)14-11/h1-4,8,10H,5-6H2,(H,12,13)
InChIKey
OCVKLYHEWYVKBU-UHFFFAOYSA-N
Compound name
12-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 136.4
[M+Na]+ 212.06820 143.7
[M-H]- 188.07170 137.8
[M+NH4]+ 207.11280 155.3
[M+K]+ 228.04214 140.9
[M+H-H2O]+ 172.07624 129.8
[M+HCOO]- 234.07718 150.8
[M+CH3COO]- 248.09283 148.3
[M+Na-2H]- 210.05365 145.8
[M]+ 189.07843 133.0
[M]- 189.07953 133.0
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.