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]+ 216.113146 148.6
[M+Na]+ 238.095088 160.0
[M-H]- 214.098594 157.4
[M+NH4]+ 233.139693 160.2
[M+K]+ 254.069028 156.1
[M+H-H2O]+ 198.103130 140.4
[M+HCOO]- 260.104071 171.9
[M+CH3COO]- 274.119721 161.7
[M+Na-2H]- 236.080536 153.2
[M]+ 215.10532142 151.4
[M]- 215.10641858 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.