CID 84064047

73504-80-0

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC(C1CCCCO1)O

InChI

InChI=1S/C7H14O2/c1-6(8)7-4-2-3-5-9-7/h6-8H,2-5H2,1H3

InChIKey

JSTOTKFHZZYCBV-UHFFFAOYSA-N

Compound name

1-(oxan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 130.09938 Da
Monoisotopic Mass: 0.7
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]+	131.106656	127.9
[M+Na]+	153.088598	132.3
[M-H]-	129.092104	130.0
[M+NH4]+	148.133203	147.6
[M+K]+	169.062538	133.2
[M+H-H2O]+	113.096640	122.8
[M+HCOO]-	175.097581	145.8
[M+CH3COO]-	189.113231	168.5
[M+Na-2H]-	151.074046	133.4
[M]+	130.09883142	123.7
[M]-	130.09992858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe