CID 82470073

3-methoxy-4-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=NN=C(O1)C2=C(C=C(C=C2)N)OC
InChI
InChI=1S/C10H11N3O2/c1-6-12-13-10(15-6)8-4-3-7(11)5-9(8)14-2/h3-5H,11H2,1-2H3
InChIKey
QWPJLPMUNJVMKB-UHFFFAOYSA-N
Compound name
3-methoxy-4-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

205.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 143.0
[M+Na]+ 228.07435 153.3
[M-H]- 204.07785 148.4
[M+NH4]+ 223.11895 159.7
[M+K]+ 244.04829 151.7
[M+H-H2O]+ 188.08239 135.1
[M+HCOO]- 250.08333 166.8
[M+CH3COO]- 264.09898 187.0
[M+Na-2H]- 226.05980 148.5
[M]+ 205.08458 145.4
[M]- 205.08568 145.4
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

patents stripe