CID 53474191

1-(3-methoxyphenyl)-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H9N3O2
SMILES
COC1=CC=CC(=C1)N2C=C(N=N2)C=O
InChI
InChI=1S/C10H9N3O2/c1-15-10-4-2-3-9(5-10)13-6-8(7-14)11-12-13/h2-7H,1H3
InChIKey
AADSLEFBRAGBPS-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

203.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.076746 141.3
[M+Na]+ 226.058688 151.6
[M-H]- 202.062194 144.7
[M+NH4]+ 221.103293 158.1
[M+K]+ 242.032628 148.9
[M+H-H2O]+ 186.066730 132.5
[M+HCOO]- 248.067671 164.4
[M+CH3COO]- 262.083321 183.6
[M+Na-2H]- 224.044136 147.4
[M]+ 203.06892142 144.2
[M]- 203.07001858 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.