CID 3043463

55546-36-6

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: 280
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]+	217.21620	158.4
[M+Na]+	239.19814	162.1
[M-H]-	215.20164	156.0
[M+NH4]+	234.24274	176.5
[M+K]+	255.17208	160.5
[M+H-H2O]+	199.20618	152.8
[M+HCOO]-	261.20712	177.9
[M+CH3COO]-	275.22277	190.4
[M+Na-2H]-	237.18359	159.9
[M]+	216.20837	162.7
[M]-	216.20947	162.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe