CID 12931498

81887-60-7

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC1(CCOC1CO)C

InChI

InChI=1S/C7H14O2/c1-7(2)3-4-9-6(7)5-8/h6,8H,3-5H2,1-2H3

InChIKey

YUELKLVMAKNWKQ-UHFFFAOYSA-N

Compound name

(3,3-dimethyloxolan-2-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 130.09938 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]+	131.10666	125.9
[M+Na]+	153.08860	133.4
[M-H]-	129.09210	128.8
[M+NH4]+	148.13320	149.9
[M+K]+	169.06254	133.8
[M+H-H2O]+	113.09664	122.4
[M+HCOO]-	175.09758	146.9
[M+CH3COO]-	189.11323	168.1
[M+Na-2H]-	151.07405	132.1
[M]+	130.09883	125.1
[M]-	130.09993	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe