CID 22937117

4-[(methoxycarbonyl)oxy]butan-1-ol

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

COC(=O)OCCCCO

InChI

InChI=1S/C6H12O4/c1-9-6(8)10-5-3-2-4-7/h7H,2-5H2,1H3

InChIKey

LYFFZMBJYLSUTF-UHFFFAOYSA-N

Compound name

4-hydroxybutyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 148.07356 Da
Monoisotopic Mass: 0.6
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]+	149.08084	130.3
[M+Na]+	171.06278	137.2
[M-H]-	147.06628	129.3
[M+NH4]+	166.10738	151.1
[M+K]+	187.03672	137.9
[M+H-H2O]+	131.07082	125.7
[M+HCOO]-	193.07176	152.8
[M+CH3COO]-	207.08741	171.0
[M+Na-2H]-	169.04823	135.7
[M]+	148.07301	134.0
[M]-	148.07411	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe