CID 28924762

2-(1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C4H7N3O
SMILES
C1=NOC(=N1)CCN
InChI
InChI=1S/C4H7N3O/c5-2-1-4-6-3-7-8-4/h3H,1-2,5H2
InChIKey
HKIXGXYGOILGSX-UHFFFAOYSA-N
Compound name
2-(1,2,4-oxadiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

113.058914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 119.0
[M+Na]+ 136.048132 127.6
[M-H]- 112.051638 120.2
[M+NH4]+ 131.092737 138.8
[M+K]+ 152.022072 128.0
[M+H-H2O]+ 96.056174 111.9
[M+HCOO]- 158.057115 142.9
[M+CH3COO]- 172.072765 167.7
[M+Na-2H]- 134.033580 127.5
[M]+ 113.05836542 119.0
[M]- 113.05946258 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