CID 55253256

4,7-diazaspiro[2.5]octan-8-one

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1CC12C(=O)NCCN2
InChI
InChI=1S/C6H10N2O/c9-5-6(1-2-6)8-4-3-7-5/h8H,1-4H2,(H,7,9)
InChIKey
FSLZGHJDIDSIPF-UHFFFAOYSA-N
Compound name
4,7-diazaspiro[2.5]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

126.079315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 133.9
[M+Na]+ 149.06853 142.4
[M-H]- 125.07204 134.9
[M+NH4]+ 144.11314 149.2
[M+K]+ 165.04247 139.2
[M+H-H2O]+ 109.07658 127.6
[M+HCOO]- 171.07752 150.0
[M+CH3COO]- 185.09317 145.2
[M+Na-2H]- 147.05398 140.9
[M]+ 126.07877 128.9
[M]- 126.07986 128.9
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