CID 227802

Decenylsuccinic anhydride

Structural Information

Molecular Formula

C₁₄H₂₂O₃

SMILES

CCCCCCCCC=CC1CC(=O)OC1=O

InChI

InChI=1S/C14H22O3/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h9-10,12H,2-8,11H2,1H3

InChIKey

UWERUIGPWOVNGG-UHFFFAOYSA-N

Compound name

3-dec-1-enyloxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 420
Patents: 238.15689 Da
Monoisotopic Mass: 4.3
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]+	239.16417	157.5
[M+Na]+	261.14611	163.4
[M-H]-	237.14961	160.7
[M+NH4]+	256.19071	176.0
[M+K]+	277.12005	161.4
[M+H-H2O]+	221.15415	152.0
[M+HCOO]-	283.15509	178.5
[M+CH3COO]-	297.17074	192.4
[M+Na-2H]-	259.13156	158.6
[M]+	238.15634	160.6
[M]-	238.15744	160.6

Literature stripe

literature stripe

Patent stripe

patents stripe