CID 536816

Diisopropyl sulfite

Structural Information

Molecular Formula

C₆H₁₄O₃S

SMILES

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

InChI

InChI=1S/C6H14O3S/c1-5(2)8-10(7)9-6(3)4/h5-6H,1-4H3

InChIKey

IIKLEMKAKOISSP-UHFFFAOYSA-N

Compound name

dipropan-2-yl sulfite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 219
Patents: 166.06636 Da
Monoisotopic Mass: 1.8
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]+	167.073636	134.2
[M+Na]+	189.055578	140.6
[M-H]-	165.059084	134.7
[M+NH4]+	184.100183	155.1
[M+K]+	205.029518	141.5
[M+H-H2O]+	149.063620	129.2
[M+HCOO]-	211.064561	150.2
[M+CH3COO]-	225.080211	178.7
[M+Na-2H]-	187.041026	134.3
[M]+	166.06581142	139.3
[M]-	166.06690858	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe