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 148.6
[M+Na]+ 238.09509 160.0
[M-H]- 214.09859 157.4
[M+NH4]+ 233.13969 160.2
[M+K]+ 254.06903 156.1
[M+H-H2O]+ 198.10313 140.4
[M+HCOO]- 260.10407 171.9
[M+CH3COO]- 274.11972 161.7
[M+Na-2H]- 236.08054 153.2
[M]+ 215.10532 151.4
[M]- 215.10642 151.4
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.