CID 83872350

3-methoxy-1-methyl-1h-1,2,4-triazole-5-carbaldehyde

Structural Information

Molecular Formula
C5H7N3O2
SMILES
CN1C(=NC(=N1)OC)C=O
InChI
InChI=1S/C5H7N3O2/c1-8-4(3-9)6-5(7-8)10-2/h3H,1-2H3
InChIKey
USOMXWRPLSULMS-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1,2,4-triazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.05383 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06111 124.9
[M+Na]+ 164.04305 136.1
[M-H]- 140.04655 125.4
[M+NH4]+ 159.08765 144.8
[M+K]+ 180.01699 135.6
[M+H-H2O]+ 124.05109 117.8
[M+HCOO]- 186.05203 148.2
[M+CH3COO]- 200.06768 173.1
[M+Na-2H]- 162.02850 131.3
[M]+ 141.05328 128.6
[M]- 141.05438 128.6
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.