CID 55250356

Hca36932

Structural Information

Molecular Formula
C11H11NO
SMILES
C1CC2=C3C(=C1)C(=O)CCN3C=C2
InChI
InChI=1S/C11H11NO/c13-10-5-7-12-6-4-8-2-1-3-9(10)11(8)12/h3-4,6H,1-2,5,7H2
InChIKey
XOMCWUAQMIBCIS-UHFFFAOYSA-N
Compound name
1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),7-trien-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.091336 135.0
[M+Na]+ 196.073278 143.4
[M-H]- 172.076784 138.2
[M+NH4]+ 191.117883 158.2
[M+K]+ 212.047218 140.0
[M+H-H2O]+ 156.081320 128.8
[M+HCOO]- 218.082261 154.3
[M+CH3COO]- 232.097911 148.4
[M+Na-2H]- 194.058726 141.6
[M]+ 173.08351142 133.5
[M]- 173.08460858 133.5
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.