CID 9989449

5-(3-ethoxypropyl)-1h-imidazole

Structural Information

Molecular Formula
C8H14N2O
SMILES
CCOCCCC1=CN=CN1
InChI
InChI=1S/C8H14N2O/c1-2-11-5-3-4-8-6-9-7-10-8/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
RSHKAUMLIJVWFJ-UHFFFAOYSA-N
Compound name
5-(3-ethoxypropyl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

154.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 133.8
[M+Na]+ 177.09983 141.1
[M-H]- 153.10333 132.9
[M+NH4]+ 172.14443 153.3
[M+K]+ 193.07377 139.2
[M+H-H2O]+ 137.10787 126.6
[M+HCOO]- 199.10881 155.5
[M+CH3COO]- 213.12446 173.2
[M+Na-2H]- 175.08528 139.6
[M]+ 154.11006 134.6
[M]- 154.11116 134.6
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