CID 263170

2-isopropoxytetrahydropyran

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC(C)OC1CCCCO1

InChI

InChI=1S/C8H16O2/c1-7(2)10-8-5-3-4-6-9-8/h7-8H,3-6H2,1-2H3

InChIKey

ZGXPHCSAAJGIJC-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyoxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 144
Patents: 144.11504 Da
Monoisotopic Mass: 1.7
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]+	145.122316	131.7
[M+Na]+	167.104258	136.2
[M-H]-	143.107764	135.1
[M+NH4]+	162.148863	151.6
[M+K]+	183.078198	137.7
[M+H-H2O]+	127.112300	126.2
[M+HCOO]-	189.113241	150.8
[M+CH3COO]-	203.128891	174.2
[M+Na-2H]-	165.089706	137.3
[M]+	144.11449142	129.8
[M]-	144.11558858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe