CID 87008

73757-65-0

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(C)OC(CO)CO

InChI

InChI=1S/C6H14O3/c1-5(2)9-6(3-7)4-8/h5-8H,3-4H2,1-2H3

InChIKey

TZVGNDWIPYNINU-UHFFFAOYSA-N

Compound name

2-propan-2-yloxypropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 134.0943 Da
Monoisotopic Mass: -0.4
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]+	135.10158	130.1
[M+Na]+	157.08352	135.9
[M-H]-	133.08702	127.6
[M+NH4]+	152.12812	150.6
[M+K]+	173.05746	136.2
[M+H-H2O]+	117.09156	125.8
[M+HCOO]-	179.09250	149.6
[M+CH3COO]-	193.10815	169.5
[M+Na-2H]-	155.06897	133.5
[M]+	134.09375	130.5
[M]-	134.09485	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe