CID 84647850

5-azaspiro[2.5]octan-4-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC2(CC2)C(=O)NC1
InChI
InChI=1S/C7H11NO/c9-6-7(3-4-7)2-1-5-8-6/h1-5H2,(H,8,9)
InChIKey
GSTXGJILPVWAEE-UHFFFAOYSA-N
Compound name
5-azaspiro[2.5]octan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 130.6
[M+Na]+ 148.07328 139.1
[M-H]- 124.07678 134.3
[M+NH4]+ 143.11788 148.0
[M+K]+ 164.04722 137.0
[M+H-H2O]+ 108.08132 124.9
[M+HCOO]- 170.08226 149.2
[M+CH3COO]- 184.09791 169.9
[M+Na-2H]- 146.05873 137.9
[M]+ 125.08351 127.3
[M]- 125.08461 127.3
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