CID 11665409

4-azaspiro[2.5]octan-5-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CC(=O)NC2(C1)CC2
InChI
InChI=1S/C7H11NO/c9-6-2-1-3-7(8-6)4-5-7/h1-5H2,(H,8,9)
InChIKey
CPONDIRBUHQHSM-UHFFFAOYSA-N
Compound name
4-azaspiro[2.5]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe