CID 12634236

67089-64-9

Structural Information

Molecular Formula

C₈H₁₆O₂

SMILES

CC1(CCC(O1)(C)CO)C

InChI

InChI=1S/C8H16O2/c1-7(2)4-5-8(3,6-9)10-7/h9H,4-6H2,1-3H3

InChIKey

KVWCXTFLTZSSOT-UHFFFAOYSA-N

Compound name

(2,5,5-trimethyloxolan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 144.11504 Da
Monoisotopic Mass: 0.8
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	128.2
[M+Na]+	167.104258	136.2
[M-H]-	143.107764	131.4
[M+NH4]+	162.148863	153.7
[M+K]+	183.078198	136.5
[M+H-H2O]+	127.112300	125.6
[M+HCOO]-	189.113241	148.9
[M+CH3COO]-	203.128891	170.9
[M+Na-2H]-	165.089706	135.3
[M]+	144.11449142	128.3
[M]-	144.11558858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe