CID 175402

Schembl2879398

Structural Information

Molecular Formula

C₁₅H₃₂O₂

SMILES

CC(C)CCCCCCCCCCOCCO

InChI

InChI=1S/C15H32O2/c1-15(2)11-9-7-5-3-4-6-8-10-13-17-14-12-16/h15-16H,3-14H2,1-2H3

InChIKey

NCKROKVSFPMCCF-UHFFFAOYSA-N

Compound name

2-(11-methyldodecoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 157
Patents: 244.24023 Da
Monoisotopic Mass: 5.4
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]+	245.247506	167.5
[M+Na]+	267.229448	170.3
[M-H]-	243.232954	164.7
[M+NH4]+	262.274053	184.5
[M+K]+	283.203388	168.2
[M+H-H2O]+	227.237490	161.5
[M+HCOO]-	289.238431	186.3
[M+CH3COO]-	303.254081	196.4
[M+Na-2H]-	265.214896	167.9
[M]+	244.23968142	172.6
[M]-	244.24077858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe