CID 3082145

17286-47-4

Structural Information

Molecular Formula
C5H9N3
SMILES
C1=CN=C(N1)CCN
InChI
InChI=1S/C5H9N3/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKey
DEURIUYJZZLADZ-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

706
Patents

111.07965 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 120.9
[M+Na]+ 134.068868 128.7
[M-H]- 110.072374 120.0
[M+NH4]+ 129.113473 141.5
[M+K]+ 150.042808 126.6
[M+H-H2O]+ 94.076910 114.0
[M+HCOO]- 156.077851 143.8
[M+CH3COO]- 170.093501 166.2
[M+Na-2H]- 132.054316 127.7
[M]+ 111.07910142 117.4
[M]- 111.08019858 117.4
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