CID 10877145

3-methoxy-4-methyl-1h-1,2,4-triazol-5(4h)-one

Structural Information

Molecular Formula
C4H7N3O2
SMILES
CN1C(=O)NN=C1OC
InChI
InChI=1S/C4H7N3O2/c1-7-3(8)5-6-4(7)9-2/h1-2H3,(H,5,8)
InChIKey
AMHDHUVBOKXALL-UHFFFAOYSA-N
Compound name
3-methoxy-4-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

170
Patents

129.05383 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06111 121.9
[M+Na]+ 152.04305 133.1
[M-H]- 128.04655 121.1
[M+NH4]+ 147.08765 141.6
[M+K]+ 168.01699 131.8
[M+H-H2O]+ 112.05109 115.2
[M+HCOO]- 174.05203 144.0
[M+CH3COO]- 188.06768 167.5
[M+Na-2H]- 150.02850 128.2
[M]+ 129.05328 123.3
[M]- 129.05438 123.3
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

No patent data available for this compound.