CID 106471202

3-(propan-2-yl)oxan-4-ol

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC(C)C1COCCC1O

InChI

InChI=1S/C8H16O2/c1-6(2)7-5-10-4-3-8(7)9/h6-9H,3-5H2,1-2H3

InChIKey

FVFZIVCGKMRKEW-UHFFFAOYSA-N

Compound name

3-propan-2-yloxan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 144.11504 Da
Monoisotopic Mass: 1.2
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	137.0
[M-H]-	143.107764	134.3
[M+NH4]+	162.148863	151.5
[M+K]+	183.078198	137.6
[M+H-H2O]+	127.112300	127.0
[M+HCOO]-	189.113241	149.5
[M+CH3COO]-	203.128891	172.7
[M+Na-2H]-	165.089706	136.3
[M]+	144.11449142	128.6
[M]-	144.11558858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe