CID 140112465

(3-(methoxymethyl)cyclobutyl)methanol

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

COCC1CC(C1)CO

InChI

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

InChIKey

YCMRHPBCEGKFMP-UHFFFAOYSA-N

Compound name

[3-(methoxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 130.09938 Da
Monoisotopic Mass: 0.4
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]+	131.106656	124.7
[M+Na]+	153.088598	130.3
[M-H]-	129.092104	127.0
[M+NH4]+	148.133203	139.9
[M+K]+	169.062538	132.8
[M+H-H2O]+	113.096640	115.2
[M+HCOO]-	175.097581	145.5
[M+CH3COO]-	189.113231	174.3
[M+Na-2H]-	151.074046	130.0
[M]+	130.09883142	133.5
[M]-	130.09992858	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe