CID 11355578

2-acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)N1C2CC(C1=O)C=C2
InChI
InChI=1S/C8H9NO2/c1-5(10)9-7-3-2-6(4-7)8(9)11/h2-3,6-7H,4H2,1H3
InChIKey
ZUMZWQHPSXZHBQ-UHFFFAOYSA-N
Compound name
2-acetyl-2-azabicyclo[2.2.1]hept-5-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

151.06332 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 131.0
[M+Na]+ 174.05254 140.5
[M-H]- 150.05604 133.3
[M+NH4]+ 169.09714 156.4
[M+K]+ 190.02648 139.2
[M+H-H2O]+ 134.06058 126.6
[M+HCOO]- 196.06152 152.7
[M+CH3COO]- 210.07717 175.5
[M+Na-2H]- 172.03799 134.3
[M]+ 151.06277 132.0
[M]- 151.06387 132.0
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

patents stripe