CID 129451563

1935037-79-8

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1COCCC1C2=CN=CN2
InChI
InChI=1S/C8H12N2O/c1-3-11-4-2-7(1)8-5-9-6-10-8/h5-7H,1-4H2,(H,9,10)
InChIKey
MOCAEYNADNWZGS-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 131.3
[M+Na]+ 175.08418 137.0
[M-H]- 151.08768 133.8
[M+NH4]+ 170.12878 148.9
[M+K]+ 191.05812 135.8
[M+H-H2O]+ 135.09222 123.6
[M+HCOO]- 197.09316 149.3
[M+CH3COO]- 211.10881 143.5
[M+Na-2H]- 173.06963 137.1
[M]+ 152.09441 125.9
[M]- 152.09551 125.9
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.