CID 44292270

2-(1-ethyl-1h-imidazol-4-yl)ethan-1-amine hydrochloride hydroiodide

Structural Information

Molecular Formula
C7H13N3
SMILES
CCN1C=C(N=C1)CCN
InChI
InChI=1S/C7H13N3/c1-2-10-5-7(3-4-8)9-6-10/h5-6H,2-4,8H2,1H3
InChIKey
LIXGKSRWGHVUHT-UHFFFAOYSA-N
Compound name
2-(1-ethylimidazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

139.11095 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 129.5
[M+Na]+ 162.100168 137.8
[M-H]- 138.103674 130.1
[M+NH4]+ 157.144773 150.0
[M+K]+ 178.074108 136.1
[M+H-H2O]+ 122.108210 122.3
[M+HCOO]- 184.109151 153.2
[M+CH3COO]- 198.124801 176.0
[M+Na-2H]- 160.085616 135.0
[M]+ 139.11040142 129.0
[M]- 139.11149858 129.0
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