CID 335827

2-(2-nitro-1h-imidazol-1-yl)ethanamine hydrochloride

Structural Information

Molecular Formula
C5H8N4O2
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CCN
InChI
InChI=1S/C5H8N4O2/c6-1-3-8-4-2-7-5(8)9(10)11/h2,4H,1,3,6H2
InChIKey
WGPFDZRLUUOFTI-UHFFFAOYSA-N
Compound name
2-(2-nitroimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

156.06473 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07201 127.7
[M+Na]+ 179.05395 138.3
[M+NH4]+ 174.09855 134.7
[M+K]+ 195.02789 138.4
[M-H]- 155.05745 129.1
[M+Na-2H]- 177.03940 132.6
[M]+ 156.06418 129.1
[M]- 156.06528 129.1
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