CID 22272891

3-(oxan-4-yl)propan-1-ol

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

C1COCCC1CCCO

InChI

InChI=1S/C8H16O2/c9-5-1-2-8-3-6-10-7-4-8/h8-9H,1-7H2

InChIKey

FGWQPRUQOJWITB-UHFFFAOYSA-N

Compound name

3-(oxan-4-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 144.11504 Da
Monoisotopic Mass: 0.9
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]+	145.122316	132.0
[M+Na]+	167.104258	136.3
[M-H]-	143.107764	133.9
[M+NH4]+	162.148863	151.2
[M+K]+	183.078198	136.4
[M+H-H2O]+	127.112300	126.6
[M+HCOO]-	189.113241	150.6
[M+CH3COO]-	203.128891	170.7
[M+Na-2H]-	165.089706	138.3
[M]+	144.11449142	128.9
[M]-	144.11558858	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe