CID 24694666

5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H11N3O3
SMILES
COC1=CC=CC(=C1OC)C2=NN=C(O2)N
InChI
InChI=1S/C10H11N3O3/c1-14-7-5-3-4-6(8(7)15-2)9-12-13-10(11)16-9/h3-5H,1-2H3,(H2,11,13)
InChIKey
MUHOWTKEFHYBKI-UHFFFAOYSA-N
Compound name
5-(2,3-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08733 145.6
[M+Na]+ 244.06927 155.7
[M-H]- 220.07277 151.0
[M+NH4]+ 239.11387 161.6
[M+K]+ 260.04321 154.7
[M+H-H2O]+ 204.07731 137.5
[M+HCOO]- 266.07825 169.6
[M+CH3COO]- 280.09390 189.2
[M+Na-2H]- 242.05472 151.2
[M]+ 221.07950 149.5
[M]- 221.08060 149.5
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.