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
2
Annotation Hits

0
References

26
Patents

143.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 127.5
[M+Na]+ 166.058688 136.8
[M-H]- 142.062194 124.8
[M+NH4]+ 161.103293 145.5
[M+K]+ 182.032628 134.5
[M+H-H2O]+ 126.066730 120.4
[M+HCOO]- 188.067671 147.8
[M+CH3COO]- 202.083321 166.8
[M+Na-2H]- 164.044136 133.5
[M]+ 143.06892142 126.9
[M]- 143.07001858 126.9
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