CID 15567529

4-propyl-1h-imidazol-2(3h)-one

Structural Information

Molecular Formula
C6H10N2O
SMILES
CCCC1=CNC(=O)N1
InChI
InChI=1S/C6H10N2O/c1-2-3-5-4-7-6(9)8-5/h4H,2-3H2,1H3,(H2,7,8,9)
InChIKey
XVRUDUVVABJXSC-UHFFFAOYSA-N
Compound name
4-propyl-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

126.079315 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 124.7
[M+Na]+ 149.06853 133.7
[M-H]- 125.07204 123.3
[M+NH4]+ 144.11314 144.9
[M+K]+ 165.04247 130.7
[M+H-H2O]+ 109.07658 118.6
[M+HCOO]- 171.07752 145.8
[M+CH3COO]- 185.09317 164.8
[M+Na-2H]- 147.05398 130.3
[M]+ 126.07877 122.6
[M]- 126.07986 122.6
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