CID 312102

93761-90-1

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CCC(CC1)C2=NNC(=O)C23CCCCC3
InChI
InChI=1S/C14H22N2O/c17-13-14(9-5-2-6-10-14)12(15-16-13)11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)
InChIKey
QUAQQKMPDYEYDU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2,3-diazaspiro[4.5]dec-1-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 158.7
[M+Na]+ 257.16244 161.7
[M-H]- 233.16594 161.6
[M+NH4]+ 252.20704 176.2
[M+K]+ 273.13638 157.5
[M+H-H2O]+ 217.17048 149.7
[M+HCOO]- 279.17142 171.3
[M+CH3COO]- 293.18707 167.7
[M+Na-2H]- 255.14789 159.2
[M]+ 234.17267 147.1
[M]- 234.17377 147.1
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.