CID 59708470

502609-47-4

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC1(CCOCC1)CO

InChI

InChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3

InChIKey

HKNGCILTDHGUEO-UHFFFAOYSA-N

Compound name

(4-methyloxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 130.09938 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]+	131.106656	126.9
[M+Na]+	153.088598	132.5
[M-H]-	129.092104	129.4
[M+NH4]+	148.133203	148.8
[M+K]+	169.062538	133.2
[M+H-H2O]+	113.096640	122.6
[M+HCOO]-	175.097581	145.8
[M+CH3COO]-	189.113231	167.2
[M+Na-2H]-	151.074046	134.9
[M]+	130.09883142	123.7
[M]-	130.09992858	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe