CID 3043463

2-propanol, 1-(decyloxy)-

Structural Information

Molecular Formula

C₁₃H₂₈O₂

SMILES

CCCCCCCCCCOCC(C)O

InChI

InChI=1S/C13H28O2/c1-3-4-5-6-7-8-9-10-11-15-12-13(2)14/h13-14H,3-12H2,1-2H3

InChIKey

GNIJLZHYBVVHMA-UHFFFAOYSA-N

Compound name

1-decoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 528
Patents: 216.20892 Da
Monoisotopic Mass: 4.3
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]+	217.216196	158.4
[M+Na]+	239.198138	162.1
[M-H]-	215.201644	156.0
[M+NH4]+	234.242743	176.5
[M+K]+	255.172078	160.5
[M+H-H2O]+	199.206180	152.8
[M+HCOO]-	261.207121	177.9
[M+CH3COO]-	275.222771	190.4
[M+Na-2H]-	237.183586	159.9
[M]+	216.20837142	162.7
[M]-	216.20946858	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe