CID 21401481

875155-13-8

Structural Information

Molecular Formula
C5H8N2O
SMILES
COCC1=CN=CN1
InChI
InChI=1S/C5H8N2O/c1-8-3-5-2-6-4-7-5/h2,4H,3H2,1H3,(H,6,7)
InChIKey
IKUAHKWSYIFRPJ-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

112.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 120.1
[M+Na]+ 135.052878 128.7
[M-H]- 111.056384 119.8
[M+NH4]+ 130.097483 141.2
[M+K]+ 151.026818 127.6
[M+H-H2O]+ 95.060920 113.6
[M+HCOO]- 157.061861 142.8
[M+CH3COO]- 171.077511 164.1
[M+Na-2H]- 133.038326 127.5
[M]+ 112.06311142 119.8
[M]- 112.06420858 119.8
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