CID 18096

Diisopropyl sulfate

Structural Information

Molecular Formula

C₆H₁₄O₄S

SMILES

CC(C)OS(=O)(=O)OC(C)C

InChI

InChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3

InChIKey

HWBLTYHIEYOAOL-UHFFFAOYSA-N

Compound name

dipropan-2-yl sulfate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 808
Patents: 182.06128 Da
Monoisotopic Mass: 1.3
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	136.1
[M+Na]+	205.05050	143.3
[M-H]-	181.05400	136.8
[M+NH4]+	200.09510	156.5
[M+K]+	221.02444	143.9
[M+H-H2O]+	165.05854	131.5
[M+HCOO]-	227.05948	152.2
[M+CH3COO]-	241.07513	179.3
[M+Na-2H]-	203.03595	138.4
[M]+	182.06073	142.1
[M]-	182.06183	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe