CID 3849535

1-(diethoxymethyl)-1h-imidazole

Structural Information

Molecular Formula
C8H14N2O2
SMILES
CCOC(N1C=CN=C1)OCC
InChI
InChI=1S/C8H14N2O2/c1-3-11-8(12-4-2)10-6-5-9-7-10/h5-8H,3-4H2,1-2H3
InChIKey
NNQBAGFIYBBAFL-UHFFFAOYSA-N
Compound name
1-(diethoxymethyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

170.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.112806 136.6
[M+Na]+ 193.094748 144.0
[M-H]- 169.098254 137.3
[M+NH4]+ 188.139353 156.0
[M+K]+ 209.068688 144.0
[M+H-H2O]+ 153.102790 129.1
[M+HCOO]- 215.103731 159.1
[M+CH3COO]- 229.119381 178.7
[M+Na-2H]- 191.080196 141.7
[M]+ 170.10498142 140.1
[M]- 170.10607858 140.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe