CID 29299542

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

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=C(C=CC(=C1)C2=NC(=NO2)C)N
InChI
InChI=1S/C10H11N3O/c1-6-5-8(3-4-9(6)11)10-12-7(2)13-14-10/h3-5H,11H2,1-2H3
InChIKey
AQCBHISMHDHKPH-UHFFFAOYSA-N
Compound name
2-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 140.1
[M+Na]+ 212.079428 150.5
[M-H]- 188.082934 145.5
[M+NH4]+ 207.124033 157.6
[M+K]+ 228.053368 148.4
[M+H-H2O]+ 172.087470 132.4
[M+HCOO]- 234.088411 163.7
[M+CH3COO]- 248.104061 154.1
[M+Na-2H]- 210.064876 145.6
[M]+ 189.08966142 141.1
[M]- 189.09075858 141.1
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.