CID 50988182

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline hydrochloride

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=NC(=NO1)COC2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O2/c1-7-12-10(13-15-7)6-14-9-4-2-8(11)3-5-9/h2-5H,6,11H2,1H3
InChIKey
LZGIJXXENDDPHB-UHFFFAOYSA-N
Compound name
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

205.08513 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.092406 142.5
[M+Na]+ 228.074348 151.8
[M-H]- 204.077854 147.5
[M+NH4]+ 223.118953 158.9
[M+K]+ 244.048288 150.3
[M+H-H2O]+ 188.082390 134.3
[M+HCOO]- 250.083331 166.3
[M+CH3COO]- 264.098981 185.8
[M+Na-2H]- 226.059796 148.8
[M]+ 205.08458142 144.5
[M]- 205.08567858 144.5
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