CID 34714

2,5,5-trimethyltetrahydro-3-furanol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC1C(CC(O1)(C)C)O

InChI

InChI=1S/C7H14O2/c1-5-6(8)4-7(2,3)9-5/h5-6,8H,4H2,1-3H3

InChIKey

LQNXAZISXNVYTF-UHFFFAOYSA-N

Compound name

2,5,5-trimethyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 130.09938 Da
Monoisotopic Mass: 0.6
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]+	131.10666	125.6
[M+Na]+	153.08860	136.0
[M+NH4]+	148.13320	135.6
[M+K]+	169.06254	131.4
[M-H]-	129.09210	127.7
[M+Na-2H]-	151.07405	130.5
[M]+	130.09883	127.7
[M]-	130.09993	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe