CID 43525221

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

Structural Information

Molecular Formula
C10H11N3O
SMILES
CCC1=NC(=NO1)C2=CC(=CC=C2)N
InChI
InChI=1S/C10H11N3O/c1-2-9-12-10(13-14-9)7-4-3-5-8(11)6-7/h3-6H,2,11H2,1H3
InChIKey
CCCJFRBTBUSWBP-UHFFFAOYSA-N
Compound name
3-(5-ethyl-1,2,4-oxadiazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.7
[M+Na]+ 212.07943 149.2
[M-H]- 188.08293 144.6
[M+NH4]+ 207.12403 156.8
[M+K]+ 228.05337 147.0
[M+H-H2O]+ 172.08747 131.7
[M+HCOO]- 234.08841 163.3
[M+CH3COO]- 248.10406 153.3
[M+Na-2H]- 210.06488 146.0
[M]+ 189.08966 140.3
[M]- 189.09076 140.3
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