CID 537042

Refchem:1092977

Structural Information

Molecular Formula

C₁₅H₃₂O

SMILES

CCCCCCCCCCCCOC(C)C

InChI

InChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h15H,4-14H2,1-3H3

InChIKey

JYJHLFUHTHWNSJ-UHFFFAOYSA-N

Compound name

1-propan-2-yloxydodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 228.24532 Da
Monoisotopic Mass: 6.5
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]+	229.252596	164.0
[M+Na]+	251.234538	167.3
[M-H]-	227.238044	162.7
[M+NH4]+	246.279143	182.4
[M+K]+	267.208478	165.6
[M+H-H2O]+	211.242580	157.9
[M+HCOO]-	273.243521	184.0
[M+CH3COO]-	287.259171	197.3
[M+Na-2H]-	249.219986	164.9
[M]+	228.24477142	169.5
[M]-	228.24586858	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe