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]+	234.123696	152.1
[M+Na]+	256.105638	160.5
[M-H]-	232.109144	154.0
[M+NH4]+	251.150243	167.1
[M+K]+	272.079578	157.5
[M+H-H2O]+	216.113680	143.3
[M+HCOO]-	278.114621	171.9
[M+CH3COO]-	292.130271	188.7
[M+Na-2H]-	254.091086	155.5
[M]+	233.11587142	153.9
[M]-	233.11696858	153.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.