CID 69015

Dipropyl sulfate

Structural Information

Molecular Formula

C₆H₁₄O₄S

SMILES

CCCOS(=O)(=O)OCCC

InChI

InChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3

InChIKey

JYCKNDWZDXGNBW-UHFFFAOYSA-N

Compound name

dipropyl sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2308
Patents: 182.06128 Da
Monoisotopic Mass: 1.5
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]+	183.06856	136.7
[M+Na]+	205.05050	144.5
[M-H]-	181.05400	137.2
[M+NH4]+	200.09510	157.2
[M+K]+	221.02444	144.1
[M+H-H2O]+	165.05854	131.9
[M+HCOO]-	227.05948	154.8
[M+CH3COO]-	241.07513	177.6
[M+Na-2H]-	203.03595	141.0
[M]+	182.06073	143.9
[M]-	182.06183	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe