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 143.0
[M+Na]+ 229.08218 151.0
[M-H]- 205.08568 147.8
[M+NH4]+ 224.12678 158.7
[M+K]+ 245.05612 144.1
[M+H-H2O]+ 189.09022 137.2
[M+HCOO]- 251.09116 166.4
[M+CH3COO]- 265.10681 178.0
[M+Na-2H]- 227.06763 152.6
[M]+ 206.09241 143.2
[M]- 206.09351 143.2
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.