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]+ 204.07675 141.3
[M+Na]+ 226.05869 151.6
[M-H]- 202.06219 144.7
[M+NH4]+ 221.10329 158.1
[M+K]+ 242.03263 148.9
[M+H-H2O]+ 186.06673 132.5
[M+HCOO]- 248.06767 164.4
[M+CH3COO]- 262.08332 183.6
[M+Na-2H]- 224.04414 147.4
[M]+ 203.06892 144.2
[M]- 203.07002 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.