CID 28106985

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

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

CCC1=NOC(=N1)C2=CC(=C(C=C2)C)N

InChI

InChI=1S/C11H13N3O/c1-3-10-13-11(15-14-10)8-5-4-7(2)9(12)6-8/h4-6H,3,12H2,1-2H3

InChIKey

KFSGAUZHNXGSAP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 203.10587 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.113146	144.7
[M+Na]+	226.095088	154.7
[M-H]-	202.098594	150.0
[M+NH4]+	221.139693	161.7
[M+K]+	242.069028	152.3
[M+H-H2O]+	186.103130	136.8
[M+HCOO]-	248.104071	168.0
[M+CH3COO]-	262.119721	187.9
[M+Na-2H]-	224.080536	149.7
[M]+	203.10532142	146.1
[M]-	203.10641858	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe