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

21
Patents

126.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 132.1
[M+Na]+ 149.068533 142.9
[M-H]- 125.072039 135.0
[M+NH4]+ 144.113138 150.2
[M+K]+ 165.042473 140.0
[M+H-H2O]+ 109.076575 126.3
[M+HCOO]- 171.077516 151.5
[M+CH3COO]- 185.093166 170.5
[M+Na-2H]- 147.053981 137.6
[M]+ 126.07876642 131.3
[M]- 126.07986358 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