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

literature stripe

Patent stripe

patents stripe