CID 112603748

1-{5-[(propan-2-yloxy)methyl]-1,2,4-oxadiazol-3-yl}ethan-1-amine

Structural Information

Molecular Formula
C8H15N3O2
SMILES
CC(C)OCC1=NC(=NO1)C(C)N
InChI
InChI=1S/C8H15N3O2/c1-5(2)12-4-7-10-8(6(3)9)11-13-7/h5-6H,4,9H2,1-3H3
InChIKey
ZWGCYKMPASASCB-UHFFFAOYSA-N
Compound name
1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.11642 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.12370 141.1
[M+Na]+ 208.10564 150.2
[M+NH4]+ 203.15024 147.2
[M+K]+ 224.07958 149.0
[M-H]- 184.10914 141.7
[M+Na-2H]- 206.09109 144.0
[M]+ 185.11587 142.2
[M]- 185.11697 142.2
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.