CID 29293150

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.1
[M+Na]+ 212.07943 150.5
[M-H]- 188.08293 145.5
[M+NH4]+ 207.12403 157.6
[M+K]+ 228.05337 148.4
[M+H-H2O]+ 172.08747 132.4
[M+HCOO]- 234.08841 163.7
[M+CH3COO]- 248.10406 154.1
[M+Na-2H]- 210.06488 145.6
[M]+ 189.08966 141.1
[M]- 189.09076 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

patents stripe