CID 17604967

[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC=CC=C1C2=NC(=NO2)CN
InChI
InChI=1S/C10H11N3O/c1-7-4-2-3-5-8(7)10-12-9(6-11)13-14-10/h2-5H,6,11H2,1H3
InChIKey
WTVJKHOCADMMRO-UHFFFAOYSA-N
Compound name
[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.0
[M+Na]+ 212.07943 153.4
[M+NH4]+ 207.12403 147.9
[M+K]+ 228.05337 149.3
[M-H]- 188.08293 144.5
[M+Na-2H]- 210.06488 147.7
[M]+ 189.08966 143.1
[M]- 189.09076 143.1
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.