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: 18
Patents: 217.08513 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.09241	147.4
[M+Na]+	240.07435	161.1
[M+NH4]+	235.11895	154.3
[M+K]+	256.04829	156.5
[M-H]-	216.07785	148.9
[M+Na-2H]-	238.05980	155.1
[M]+	217.08458	149.6
[M]-	217.08568	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe