CID 98107

Dodecylsuccinic anhydride

Structural Information

Molecular Formula

C₁₆H₂₈O₃

SMILES

CCCCCCCCCCCCC1CC(=O)OC1=O

InChI

InChI=1S/C16H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h14H,2-13H2,1H3

InChIKey

YAXXOCZAXKLLCV-UHFFFAOYSA-N

Compound name

3-dodecyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 16359
Patents: 268.20386 Da
Monoisotopic Mass: 5.9
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]+	269.21114	168.1
[M+Na]+	291.19308	172.7
[M-H]-	267.19658	170.8
[M+NH4]+	286.23768	185.2
[M+K]+	307.16702	170.8
[M+H-H2O]+	251.20112	162.0
[M+HCOO]-	313.20206	188.1
[M+CH3COO]-	327.21771	199.9
[M+Na-2H]-	289.17853	168.0
[M]+	268.20331	172.6
[M]-	268.20441	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe