CID 13144653

5-methoxy-1h-imidazole

Structural Information

Molecular Formula
C4H6N2O
SMILES
COC1=CN=CN1
InChI
InChI=1S/C4H6N2O/c1-7-4-2-5-3-6-4/h2-3H,1H3,(H,5,6)
InChIKey
YXSUIVZFLAJASX-UHFFFAOYSA-N
Compound name
5-methoxy-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

98.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 116.4
[M+Na]+ 121.03723 127.8
[M+NH4]+ 116.08183 124.5
[M+K]+ 137.01117 124.5
[M-H]- 97.040734 116.2
[M+Na-2H]- 119.02268 122.5
[M]+ 98.047461 117.7
[M]- 98.048559 117.7
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