CID 98022

31500-38-6

Structural Information

Molecular Formula
C11H13NO2
SMILES
CCN1C(=O)C2C3CC(C2C1=O)C=C3
InChI
InChI=1S/C11H13NO2/c1-2-12-10(13)8-6-3-4-7(5-6)9(8)11(12)14/h3-4,6-9H,2,5H2,1H3
InChIKey
HDNAENGLYCLHFK-UHFFFAOYSA-N
Compound name
4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

191.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 143.7
[M+Na]+ 214.083858 153.9
[M-H]- 190.087364 147.2
[M+NH4]+ 209.128463 170.4
[M+K]+ 230.057798 151.0
[M+H-H2O]+ 174.091900 140.1
[M+HCOO]- 236.092841 164.3
[M+CH3COO]- 250.108491 185.4
[M+Na-2H]- 212.069306 144.3
[M]+ 191.09409142 145.4
[M]- 191.09518858 145.4
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