CID 428477

6713-41-3

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CC2CC1C3C2C(=O)NC3=O
InChI
InChI=1S/C9H11NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h4-7H,1-3H2,(H,10,11,12)
InChIKey
RIVOBMOBWMOLDJ-UHFFFAOYSA-N
Compound name
4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

165.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 137.1
[M+Na]+ 188.06820 145.9
[M-H]- 164.07170 138.8
[M+NH4]+ 183.11280 163.7
[M+K]+ 204.04214 142.9
[M+H-H2O]+ 148.07624 133.7
[M+HCOO]- 210.07718 155.5
[M+CH3COO]- 224.09283 150.4
[M+Na-2H]- 186.05365 138.0
[M]+ 165.07843 134.5
[M]- 165.07953 134.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe