CID 29564369

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

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=C(C=CC(=C1)C2=NC(=NO2)C3CC3)N
InChI
InChI=1S/C12H13N3O/c1-7-6-9(4-5-10(7)13)12-14-11(15-16-12)8-2-3-8/h4-6,8H,2-3,13H2,1H3
InChIKey
UXLIAPFVDKUEQA-UHFFFAOYSA-N
Compound name
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10587 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 149.8
[M+Na]+ 238.09509 164.9
[M+NH4]+ 233.13969 158.6
[M+K]+ 254.06903 161.8
[M-H]- 214.09859 162.5
[M+Na-2H]- 236.08054 160.2
[M]+ 215.10532 156.7
[M]- 215.10642 156.7
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.