CID 23138490

853807-54-2

Structural Information

Molecular Formula
C11H11N3O2
SMILES
COC1=CC=C(C=C1)CN2C=C(N=N2)C=O
InChI
InChI=1S/C11H11N3O2/c1-16-11-4-2-9(3-5-11)6-14-7-10(8-15)12-13-14/h2-5,7-8H,6H2,1H3
InChIKey
XLSWCFXSPAPENN-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

217.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 145.9
[M+Na]+ 240.074348 155.7
[M-H]- 216.077854 149.1
[M+NH4]+ 235.118953 162.1
[M+K]+ 256.048288 152.8
[M+H-H2O]+ 200.082390 136.8
[M+HCOO]- 262.083331 168.6
[M+CH3COO]- 276.098981 186.6
[M+Na-2H]- 238.059796 151.4
[M]+ 217.08458142 149.1
[M]- 217.08567858 149.1
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