CID 53839365

2723471-05-2

Structural Information

Molecular Formula

C₅H₁₀O₃

SMILES

CC(CO)COC=O

InChI

InChI=1S/C5H10O3/c1-5(2-6)3-8-4-7/h4-6H,2-3H2,1H3

InChIKey

GHZFLTYKIOODAR-UHFFFAOYSA-N

Compound name

(3-hydroxy-2-methylpropyl) formate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 118.062996 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]+	119.070272	122.6
[M+Na]+	141.052214	129.8
[M-H]-	117.055720	121.7
[M+NH4]+	136.096819	144.5
[M+K]+	157.026154	130.2
[M+H-H2O]+	101.060256	118.4
[M+HCOO]-	163.061197	145.2
[M+CH3COO]-	177.076847	167.3
[M+Na-2H]-	139.037662	128.5
[M]+	118.06244742	124.6
[M]-	118.06354458	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe