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

1
Patents

203.10587 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11315 144.7
[M+Na]+ 226.09509 154.7
[M-H]- 202.09859 150.0
[M+NH4]+ 221.13969 161.7
[M+K]+ 242.06903 152.3
[M+H-H2O]+ 186.10313 136.8
[M+HCOO]- 248.10407 168.0
[M+CH3COO]- 262.11972 187.9
[M+Na-2H]- 224.08054 149.7
[M]+ 203.10532 146.1
[M]- 203.10642 146.1
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