CID 3079048

124186-13-6

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC1C(OC(=C1CO)C)OC

InChI

InChI=1S/C8H14O3/c1-5-7(4-9)6(2)11-8(5)10-3/h5,8-9H,4H2,1-3H3

InChIKey

HXZXPTXZYXERFC-UHFFFAOYSA-N

Compound name

(2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 158.0943 Da
Monoisotopic Mass: 0.2
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]+	159.101576	131.5
[M+Na]+	181.083518	140.5
[M-H]-	157.087024	135.1
[M+NH4]+	176.128123	153.1
[M+K]+	197.057458	140.8
[M+H-H2O]+	141.091560	127.3
[M+HCOO]-	203.092501	153.9
[M+CH3COO]-	217.108151	175.6
[M+Na-2H]-	179.068966	135.7
[M]+	158.09375142	134.5
[M]-	158.09484858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe