CID 170915963

7-methyl-4,7-diazaspiro(2.5)octan-6-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
CN1CC2(CC2)NCC1=O
InChI
InChI=1S/C7H12N2O/c1-9-5-7(2-3-7)8-4-6(9)10/h8H,2-5H2,1H3
InChIKey
ULRTWNFMVRYUBN-UHFFFAOYSA-N
Compound name
7-methyl-4,7-diazaspiro[2.5]octan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 138.3
[M+Na]+ 163.08418 147.8
[M-H]- 139.08768 140.8
[M+NH4]+ 158.12878 154.1
[M+K]+ 179.05812 145.1
[M+H-H2O]+ 123.09222 131.9
[M+HCOO]- 185.09316 155.6
[M+CH3COO]- 199.10881 173.6
[M+Na-2H]- 161.06963 144.6
[M]+ 140.09441 135.8
[M]- 140.09551 135.8
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

No patent data available for this compound.