CID 75176208

1385031-87-7

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

CC(C1=CN(N=N1)CC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C12H15N3O2/c1-9(16)12-8-15(14-13-12)7-10-3-5-11(17-2)6-4-10/h3-6,8-9,16H,7H2,1-2H3

InChIKey

GZACXKXTCLWLRP-UHFFFAOYSA-N

Compound name

1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 233.11642 Da
Monoisotopic Mass: 0.8
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]+	234.12370	152.8
[M+Na]+	256.10564	165.3
[M+NH4]+	251.15024	159.3
[M+K]+	272.07958	161.8
[M-H]-	232.10914	153.8
[M+Na-2H]-	254.09109	159.4
[M]+	233.11587	154.7
[M]-	233.11697	154.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.