CID 22319924

Propanol,1(or 2)-(1-methylethoxy)-

Structural Information

Molecular Formula

C₆H₁₄O₂

SMILES

CCC(O)OC(C)C

InChI

InChI=1S/C6H14O2/c1-4-6(7)8-5(2)3/h5-7H,4H2,1-3H3

InChIKey

HBNLGCNVBJCBAQ-UHFFFAOYSA-N

Compound name

1-propan-2-yloxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 472
Patents: 118.09938 Da
Monoisotopic Mass: 1.3
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]+	119.106656	126.3
[M+Na]+	141.088598	132.7
[M-H]-	117.092104	125.3
[M+NH4]+	136.133203	148.3
[M+K]+	157.062538	133.4
[M+H-H2O]+	101.096640	122.1
[M+HCOO]-	163.097581	147.1
[M+CH3COO]-	177.113231	170.2
[M+Na-2H]-	139.074046	130.3
[M]+	118.09883142	127.3
[M]-	118.09992858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.