CID 137321870

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

Structural Information

Molecular Formula
C9H17N3O
SMILES
CCCCCCN1CC(=O)NC1=N
InChI
InChI=1S/C9H17N3O/c1-2-3-4-5-6-12-7-8(13)11-9(12)10/h2-7H2,1H3,(H2,10,11,13)
InChIKey
WNMOZNYQBYZEAV-UHFFFAOYSA-N
Compound name
1-hexyl-2-iminoimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.13716 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.144436 143.5
[M+Na]+ 206.126378 149.8
[M-H]- 182.129884 142.5
[M+NH4]+ 201.170983 161.7
[M+K]+ 222.100318 146.8
[M+H-H2O]+ 166.134420 136.4
[M+HCOO]- 228.135361 163.3
[M+CH3COO]- 242.151011 182.3
[M+Na-2H]- 204.111826 145.7
[M]+ 183.13661142 140.3
[M]- 183.13770858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.