CID 137321871

2-amino-1-decyl-1,5-dihydro-4h-imidazol-4-one

Structural Information

Molecular Formula
C13H25N3O
SMILES
CCCCCCCCCCN1CC(=O)NC1=N
InChI
InChI=1S/C13H25N3O/c1-2-3-4-5-6-7-8-9-10-16-11-12(17)15-13(16)14/h2-11H2,1H3,(H2,14,15,17)
InChIKey
XBIXIXVLXVOCKH-UHFFFAOYSA-N
Compound name
1-decyl-2-iminoimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.19977 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.207046 161.0
[M+Na]+ 262.188988 165.6
[M-H]- 238.192494 159.3
[M+NH4]+ 257.233593 176.9
[M+K]+ 278.162928 161.5
[M+H-H2O]+ 222.197030 153.1
[M+HCOO]- 284.197971 179.5
[M+CH3COO]- 298.213621 194.5
[M+Na-2H]- 260.174436 161.2
[M]+ 239.19922142 159.3
[M]- 239.20031858 159.3
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

No patent data available for this compound.