CID 30674

21520-92-3

Structural Information

Molecular Formula
C10H11N3O2
SMILES
CC1=CC(=CC=C1)OCC2=NN=C(O2)N
InChI
InChI=1S/C10H11N3O2/c1-7-3-2-4-8(5-7)14-6-9-12-13-10(11)15-9/h2-5H,6H2,1H3,(H2,11,13)
InChIKey
HTCGNPSDCJIEGF-UHFFFAOYSA-N
Compound name
5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.08513 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.09241 142.5
[M+Na]+ 228.07435 151.8
[M-H]- 204.07785 147.5
[M+NH4]+ 223.11895 158.9
[M+K]+ 244.04829 150.3
[M+H-H2O]+ 188.08239 134.3
[M+HCOO]- 250.08333 166.3
[M+CH3COO]- 264.09898 185.8
[M+Na-2H]- 226.05980 148.8
[M]+ 205.08458 144.5
[M]- 205.08568 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

No patent data available for this compound.