CID 198881

3483-21-4

Structural Information

Molecular Formula
C9H10N3O2
SMILES
COC1=CC=CC=C1[N+]2=NOC=C2N
InChI
InChI=1S/C9H10N3O2/c1-13-8-5-3-2-4-7(8)12-9(10)6-14-11-12/h2-6H,10H2,1H3/q+1
InChIKey
WERYRUPLGCXZLJ-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)oxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08458 138.6
[M+Na]+ 215.06652 148.1
[M-H]- 191.07002 144.0
[M+NH4]+ 210.11112 155.2
[M+K]+ 231.04046 141.3
[M+H-H2O]+ 175.07456 133.3
[M+HCOO]- 237.07550 162.4
[M+CH3COO]- 251.09115 176.1
[M+Na-2H]- 213.05197 148.0
[M]+ 192.07675 138.9
[M]- 192.07785 138.9
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.