CID 67323065

1314398-25-8

Structural Information

Molecular Formula

C₁₀H₂₀O₂

SMILES

CC1(CC(CC(O1)(C)C)CO)C

InChI

InChI=1S/C10H20O2/c1-9(2)5-8(7-11)6-10(3,4)12-9/h8,11H,5-7H2,1-4H3

InChIKey

CRUHQSBSNGCXBO-UHFFFAOYSA-N

Compound name

(2,2,6,6-tetramethyloxan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 172.14633 Da
Monoisotopic Mass: 1.4
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]+	173.153606	136.4
[M+Na]+	195.135548	143.7
[M-H]-	171.139054	139.6
[M+NH4]+	190.180153	159.4
[M+K]+	211.109488	144.0
[M+H-H2O]+	155.143590	133.3
[M+HCOO]-	217.144531	154.4
[M+CH3COO]-	231.160181	178.4
[M+Na-2H]-	193.120996	143.1
[M]+	172.14578142	135.7
[M]-	172.14687858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe