CID 80055529

2-(5-methoxy-1,2,4-oxadiazol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H9N3O2
SMILES
COC1=NC(=NO1)CCN
InChI
InChI=1S/C5H9N3O2/c1-9-5-7-4(2-3-6)8-10-5/h2-3,6H2,1H3
InChIKey
CMOCJNGROXEPNM-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.06947 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.07675 126.5
[M+Na]+ 166.05869 135.5
[M-H]- 142.06219 128.0
[M+NH4]+ 161.10329 145.4
[M+K]+ 182.03263 136.1
[M+H-H2O]+ 126.06673 119.4
[M+HCOO]- 188.06767 150.4
[M+CH3COO]- 202.08332 174.0
[M+Na-2H]- 164.04414 133.8
[M]+ 143.06892 128.7
[M]- 143.07002 128.7
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

No patent data available for this compound.