CID 25219494

1185294-83-0

Structural Information

Molecular Formula
C6H11N3O2
SMILES
COCCC1=NOC(=N1)CN
InChI
InChI=1S/C6H11N3O2/c1-10-3-2-5-8-6(4-7)11-9-5/h2-4,7H2,1H3
InChIKey
VBTBHNJQCHTJIQ-UHFFFAOYSA-N
Compound name
[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.08513 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.092406 131.1
[M+Na]+ 180.074348 139.7
[M-H]- 156.077854 132.4
[M+NH4]+ 175.118953 149.5
[M+K]+ 196.048288 140.0
[M+H-H2O]+ 140.082390 123.8
[M+HCOO]- 202.083331 154.6
[M+CH3COO]- 216.098981 177.0
[M+Na-2H]- 178.059796 137.9
[M]+ 157.08458142 133.7
[M]- 157.08567858 133.7
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.