CID 19028580

2,2'-oxydipropan-2-ol

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(C)(O)OC(C)(C)O

InChI

InChI=1S/C6H14O3/c1-5(2,7)9-6(3,4)8/h7-8H,1-4H3

InChIKey

PRHCBRXAHBBRKA-UHFFFAOYSA-N

Compound name

2-(2-hydroxypropan-2-yloxy)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 645
Patents: 134.0943 Da
Monoisotopic Mass: 0.1
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]+	135.101576	128.6
[M+Na]+	157.083518	135.8
[M-H]-	133.087024	126.6
[M+NH4]+	152.128123	149.5
[M+K]+	173.057458	136.0
[M+H-H2O]+	117.091560	125.7
[M+HCOO]-	179.092501	147.0
[M+CH3COO]-	193.108151	168.6
[M+Na-2H]-	155.068966	136.2
[M]+	134.09375142	129.5
[M]-	134.09484858	129.5

Literature stripe

literature stripe

Patent stripe

patents stripe