CID 68410

2-methylpropane-1,2-diol

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

CC(C)(CO)O

InChI

InChI=1S/C4H10O2/c1-4(2,6)3-5/h5-6H,3H2,1-2H3

InChIKey

BTVWZWFKMIUSGS-UHFFFAOYSA-N

Compound name

2-methylpropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 16724
Patents: 90.06808 Da
Monoisotopic Mass: -0.5
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]+	91.075356	116.1
[M+Na]+	113.05730	125.8
[M+NH4]+	108.10190	123.8
[M+K]+	129.03124	122.2
[M-H]-	89.060804	114.2
[M+Na-2H]-	111.04275	119.6
[M]+	90.067531	116.7
[M]-	90.068629	116.7

Literature stripe

literature stripe

Patent stripe

patents stripe