CID 105205

Acetamide, 2-(dodecylsulfonyl)-

Structural Information

Molecular Formula

C₁₄H₂₉NO₃S

SMILES

CCCCCCCCCCCCS(=O)(=O)CC(=O)N

InChI

InChI=1S/C14H29NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-19(17,18)13-14(15)16/h2-13H2,1H3,(H2,15,16)

InChIKey

AMNDVZSZNQTIAD-UHFFFAOYSA-N

Compound name

2-dodecylsulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.18683 Da
Monoisotopic Mass: 4.1
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]+	292.19411	172.1
[M+Na]+	314.17605	175.6
[M-H]-	290.17955	170.4
[M+NH4]+	309.22065	187.4
[M+K]+	330.14999	172.1
[M+H-H2O]+	274.18409	165.5
[M+HCOO]-	336.18503	186.8
[M+CH3COO]-	350.20068	203.7
[M+Na-2H]-	312.16150	170.7
[M]+	291.18628	177.5
[M]-	291.18738	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe