CID 3061068

Brn 5056760

Structural Information

Molecular Formula
C10H10ClN3O2
SMILES
CC1=C(C=CC(=C1)OCC2=NN=C(O2)N)Cl
InChI
InChI=1S/C10H10ClN3O2/c1-6-4-7(2-3-8(6)11)15-5-9-13-14-10(12)16-9/h2-4H,5H2,1H3,(H2,12,14)
InChIKey
GVUTYTVIXPNLTN-UHFFFAOYSA-N
Compound name
5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.04616 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.05344 149.3
[M+Na]+ 262.03538 163.4
[M+NH4]+ 257.07998 157.0
[M+K]+ 278.00932 159.2
[M-H]- 238.03888 153.4
[M+Na-2H]- 260.02083 156.4
[M]+ 239.04561 152.7
[M]- 239.04671 152.7
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.