CID 199184

3815-80-3

Structural Information

Molecular Formula
C9H9N2O3
SMILES
COC1=CC=C(C=C1)[N+]2=CC(=O)ON2
InChI
InChI=1S/C9H8N2O3/c1-13-8-4-2-7(3-5-8)11-6-9(12)14-10-11/h2-6H,1H3/p+1
InChIKey
MDXSZGJOBTZROY-UHFFFAOYSA-O
Compound name
3-(4-methoxyphenyl)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2
Patents

193.06131 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06859 137.7
[M+Na]+ 216.05053 147.8
[M-H]- 192.05403 142.3
[M+NH4]+ 211.09513 154.1
[M+K]+ 232.02447 140.6
[M+H-H2O]+ 176.05857 133.0
[M+HCOO]- 238.05951 159.9
[M+CH3COO]- 252.07516 170.5
[M+Na-2H]- 214.03598 147.1
[M]+ 193.06076 138.5
[M]- 193.06186 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe