CID 59198587

2-(oxan-4-yl)-1h-imidazole

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1COCCC1C2=NC=CN2
InChI
InChI=1S/C8H12N2O/c1-5-11-6-2-7(1)8-9-3-4-10-8/h3-4,7H,1-2,5-6H2,(H,9,10)
InChIKey
TVMWYYYSKTWBPB-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

152.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.7
[M+Na]+ 175.08418 144.0
[M+NH4]+ 170.12878 141.1
[M+K]+ 191.05812 140.1
[M-H]- 151.08768 136.0
[M+Na-2H]- 173.06963 138.8
[M]+ 152.09441 135.0
[M]- 152.09551 135.0
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