CID 263703

92577-31-6

Structural Information

Molecular Formula
C12H11N3O2
SMILES
CN1C(=O)C2(C3(C2(C1=O)C#N)CCCC3)C#N
InChI
InChI=1S/C12H11N3O2/c1-15-8(16)11(6-13)10(4-2-3-5-10)12(11,7-14)9(15)17/h2-5H2,1H3
InChIKey
PRKKUDMNXHEZBC-UHFFFAOYSA-N
Compound name
3-methyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09241 156.8
[M+Na]+ 252.07435 178.0
[M-H]- 228.07785 165.2
[M+NH4]+ 247.11895 174.5
[M+K]+ 268.04829 164.2
[M+H-H2O]+ 212.08239 148.4
[M+HCOO]- 274.08333 169.4
[M+CH3COO]- 288.09898 167.8
[M+Na-2H]- 250.05980 161.5
[M]+ 229.08458 154.4
[M]- 229.08568 154.4
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

No patent data available for this compound.