CID 388079

Nsc682542

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)CO)C

InChI

InChI=1S/C16H22N2O2/c1-15(2)11(10-19)8-9-16(3,20-15)14-17-12-6-4-5-7-13(12)18-14/h4-7,11,19H,8-10H2,1-3H3,(H,17,18)

InChIKey

IRCXCKNENYJVPV-UHFFFAOYSA-N

Compound name

[6-(1H-benzimidazol-2-yl)-2,2,6-trimethyloxan-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 274.16812 Da
Monoisotopic Mass: 2.1
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]+	275.175396	163.6
[M+Na]+	297.157338	172.8
[M-H]-	273.160844	167.1
[M+NH4]+	292.201943	181.7
[M+K]+	313.131278	168.8
[M+H-H2O]+	257.165380	156.3
[M+HCOO]-	319.166321	179.0
[M+CH3COO]-	333.181971	174.8
[M+Na-2H]-	295.142786	168.8
[M]+	274.16757142	163.0
[M]-	274.16866858	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.