CID 18188176

4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=NC(=NO1)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H9N3O/c1-6-11-9(12-13-6)7-2-4-8(10)5-3-7/h2-5H,10H2,1H3
InChIKey
GXOWTIUKDYSZKJ-UHFFFAOYSA-N
Compound name
4-(5-methyl-1,2,4-oxadiazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

175.07455 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 135.0
[M+Na]+ 198.063768 145.0
[M-H]- 174.067274 140.2
[M+NH4]+ 193.108373 152.8
[M+K]+ 214.037708 143.1
[M+H-H2O]+ 158.071810 127.3
[M+HCOO]- 220.072751 159.0
[M+CH3COO]- 234.088401 149.2
[M+Na-2H]- 196.049216 141.9
[M]+ 175.07400142 135.3
[M]- 175.07509858 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe