CID 57516755

4-methyl-4,6-diazaspiro[2.4]heptan-5-one

Structural Information

Molecular Formula
C6H10N2O
SMILES
CN1C(=O)NCC12CC2
InChI
InChI=1S/C6H10N2O/c1-8-5(9)7-4-6(8)2-3-6/h2-4H2,1H3,(H,7,9)
InChIKey
FAWWXHMELJVTGH-UHFFFAOYSA-N
Compound name
4-methyl-4,6-diazaspiro[2.4]heptan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

126.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 132.1
[M+Na]+ 149.06853 142.9
[M-H]- 125.07204 135.0
[M+NH4]+ 144.11314 150.2
[M+K]+ 165.04247 140.0
[M+H-H2O]+ 109.07658 126.3
[M+HCOO]- 171.07752 151.5
[M+CH3COO]- 185.09317 170.5
[M+Na-2H]- 147.05398 137.6
[M]+ 126.07877 131.3
[M]- 126.07986 131.3
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