CID 84647900

4,7-diazaspiro[2.5]octan-6-one

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1CC12CNC(=O)CN2
InChI
InChI=1S/C6H10N2O/c9-5-3-8-6(1-2-6)4-7-5/h8H,1-4H2,(H,7,9)
InChIKey
KBVSXSGJPRMNQF-UHFFFAOYSA-N
Compound name
4,7-diazaspiro[2.5]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.079315 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 133.9
[M+Na]+ 149.068533 142.4
[M-H]- 125.072039 134.9
[M+NH4]+ 144.113138 149.2
[M+K]+ 165.042473 139.2
[M+H-H2O]+ 109.076575 127.6
[M+HCOO]- 171.077516 150.0
[M+CH3COO]- 185.093166 145.2
[M+Na-2H]- 147.053981 140.9
[M]+ 126.07876642 128.9
[M]- 126.07986358 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