CID 18939043

2-(1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H7N3O
SMILES
C1=NC(=NO1)CCN
InChI
InChI=1S/C4H7N3O/c5-2-1-4-6-3-8-7-4/h3H,1-2,5H2
InChIKey
HUSLEZCKWCUICB-UHFFFAOYSA-N
Compound name
2-(1,2,4-oxadiazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

113.058914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 119.0
[M+Na]+ 136.04813 127.6
[M-H]- 112.05164 120.2
[M+NH4]+ 131.09274 138.8
[M+K]+ 152.02207 128.0
[M+H-H2O]+ 96.056174 111.9
[M+HCOO]- 158.05712 142.9
[M+CH3COO]- 172.07276 167.7
[M+Na-2H]- 134.03358 127.5
[M]+ 113.05837 119.0
[M]- 113.05946 119.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe