CID 30673

5-(phenoxymethyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C9H9N3O2
SMILES
C1=CC=C(C=C1)OCC2=NN=C(O2)N
InChI
InChI=1S/C9H9N3O2/c10-9-12-11-8(14-9)6-13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChIKey
FNMZIDWJZMOQAO-UHFFFAOYSA-N
Compound name
5-(phenoxymethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 137.3
[M+Na]+ 214.05869 146.1
[M-H]- 190.06219 142.0
[M+NH4]+ 209.10329 153.9
[M+K]+ 230.03263 144.8
[M+H-H2O]+ 174.06673 129.0
[M+HCOO]- 236.06767 161.5
[M+CH3COO]- 250.08332 181.7
[M+Na-2H]- 212.04414 144.9
[M]+ 191.06892 138.5
[M]- 191.07002 138.5
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