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

118
Patents

191.09464 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 143.7
[M+Na]+ 214.08386 153.9
[M-H]- 190.08736 147.2
[M+NH4]+ 209.12846 170.4
[M+K]+ 230.05780 151.0
[M+H-H2O]+ 174.09190 140.1
[M+HCOO]- 236.09284 164.3
[M+CH3COO]- 250.10849 185.4
[M+Na-2H]- 212.06931 144.3
[M]+ 191.09409 145.4
[M]- 191.09519 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