CID 18474409

3-(2-hydroxyethoxy)-2-methylpropan-1-ol

Structural Information

Molecular Formula

C₆H₁₄O₃

SMILES

CC(CO)COCCO

InChI

InChI=1S/C6H14O3/c1-6(4-8)5-9-3-2-7/h6-8H,2-5H2,1H3

InChIKey

HNWQQCRYLYGKKW-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethoxy)-2-methylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 134.0943 Da
Monoisotopic Mass: -0.5
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	129.7
[M+Na]+	157.083518	135.8
[M-H]-	133.087024	127.1
[M+NH4]+	152.128123	150.2
[M+K]+	173.057458	135.6
[M+H-H2O]+	117.091560	125.3
[M+HCOO]-	179.092501	150.2
[M+CH3COO]-	193.108151	168.6
[M+Na-2H]-	155.068966	134.4
[M]+	134.09375142	130.8
[M]-	134.09484858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe