CID 132327681

2126159-86-0

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(C)(C)OC(=O)N1CC(C2(C1)CC(C2)C(=O)O)C#N
InChI
InChI=1S/C14H20N2O4/c1-13(2,3)20-12(19)16-7-10(6-15)14(8-16)4-9(5-14)11(17)18/h9-10H,4-5,7-8H2,1-3H3,(H,17,18)
InChIKey
QBQFXGWCPCMRFW-UHFFFAOYSA-N
Compound name
8-cyano-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 163.5
[M+Na]+ 303.13152 169.4
[M-H]- 279.13502 165.9
[M+NH4]+ 298.17612 173.9
[M+K]+ 319.10546 170.9
[M+H-H2O]+ 263.13956 148.0
[M+HCOO]- 325.14050 174.6
[M+CH3COO]- 339.15615 208.6
[M+Na-2H]- 301.11697 163.5
[M]+ 280.14175 165.7
[M]- 280.14285 165.7
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.