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]+ 193.084576 138.6
[M+Na]+ 215.066518 148.1
[M-H]- 191.070024 144.0
[M+NH4]+ 210.111123 155.2
[M+K]+ 231.040458 141.3
[M+H-H2O]+ 175.074560 133.3
[M+HCOO]- 237.075501 162.4
[M+CH3COO]- 251.091151 176.1
[M+Na-2H]- 213.051966 148.0
[M]+ 192.07675142 138.9
[M]- 192.07784858 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.