CID 137299

Diamyl sulfite

Structural Information

Molecular Formula

C₁₀H₂₂O₃S

SMILES

CCCCCOS(=O)OCCCCC

InChI

InChI=1S/C10H22O3S/c1-3-5-7-9-12-14(11)13-10-8-6-4-2/h3-10H2,1-2H3

InChIKey

QHKKGWHSXSIVAJ-UHFFFAOYSA-N

Compound name

dipentyl sulfite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 222.12897 Da
Monoisotopic Mass: 3.8
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]+	223.13625	151.8
[M+Na]+	245.11819	157.2
[M-H]-	221.12169	151.5
[M+NH4]+	240.16279	170.7
[M+K]+	261.09213	156.0
[M+H-H2O]+	205.12623	145.9
[M+HCOO]-	267.12717	168.7
[M+CH3COO]-	281.14282	189.0
[M+Na-2H]-	243.10364	152.2
[M]+	222.12842	159.7
[M]-	222.12952	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe