CID 137837

3-methyl-3-oxetanemethanol

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC1(COC1)CO

InChI

InChI=1S/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3

InChIKey

NLQMSBJFLQPLIJ-UHFFFAOYSA-N

Compound name

(3-methyloxetan-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 7209
Patents: 102.06808 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]+	103.07536	115.1
[M+Na]+	125.05730	121.5
[M-H]-	101.06080	118.5
[M+NH4]+	120.10190	131.9
[M+K]+	141.03124	125.5
[M+H-H2O]+	85.065340	107.2
[M+HCOO]-	147.06628	135.7
[M+CH3COO]-	161.08193	166.8
[M+Na-2H]-	123.04275	124.4
[M]+	102.06753	123.7
[M]-	102.06863	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe