CID 135491005

3h-1,2,4-triazol-3-one, 1,2-dihydro-5-propoxy-

Structural Information

Molecular Formula
C5H9N3O2
SMILES
CCCOC1=NNC(=O)N1
InChI
InChI=1S/C5H9N3O2/c1-2-3-10-5-6-4(9)7-8-5/h2-3H2,1H3,(H2,6,7,8,9)
InChIKey
NZOCFJZFUNJROE-UHFFFAOYSA-N
Compound name
3-propoxy-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

143.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.07675 128.5
[M+Na]+ 166.05869 138.8
[M+NH4]+ 161.10329 134.3
[M+K]+ 182.03263 136.5
[M-H]- 142.06219 126.1
[M+Na-2H]- 164.04414 132.3
[M]+ 143.06892 128.8
[M]- 143.07002 128.8
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