CID 205192

17583-76-5

Structural Information

Molecular Formula
C10H12N3O2
SMILES
C1=CC=C(C=C1)OCC[N+]2=NOC=C2N
InChI
InChI=1S/C10H12N3O2/c11-10-8-15-12-13(10)6-7-14-9-4-2-1-3-5-9/h1-5,8H,6-7,11H2/q+1
InChIKey
DDYDWIRCRSZJPD-UHFFFAOYSA-N
Compound name
3-(2-phenoxyethyl)oxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09296 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10024 140.9
[M+Na]+ 229.08218 155.5
[M+NH4]+ 224.12678 149.5
[M+K]+ 245.05612 152.4
[M-H]- 205.08568 146.7
[M+Na-2H]- 227.06763 149.6
[M]+ 206.09241 144.9
[M]- 206.09351 144.9
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.