CID 68235624

135302-10-2

Structural Information

Molecular Formula
C5H9N3O2
SMILES
CN1C(=NNC1=O)COC
InChI
InChI=1S/C5H9N3O2/c1-8-4(3-10-2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
InChIKey
YBBVPJIMOYCTGM-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

143.06947 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.076746 126.5
[M+Na]+ 166.058688 137.2
[M-H]- 142.062194 125.5
[M+NH4]+ 161.103293 145.6
[M+K]+ 182.032628 135.7
[M+H-H2O]+ 126.066730 119.6
[M+HCOO]- 188.067671 148.2
[M+CH3COO]- 202.083321 170.5
[M+Na-2H]- 164.044136 132.3
[M]+ 143.06892142 128.2
[M]- 143.07001858 128.2
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