CID 6433892

Dodecenylsuccinic anhydride

Structural Information

Molecular Formula

C₁₆H₂₆O₃

SMILES

CCCCCCCCCC/C=C/C1CC(=O)OC1=O

InChI

InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h11-12,14H,2-10,13H2,1H3/b12-11+

InChIKey

WVRNUXJQQFPNMN-VAWYXSNFSA-N

Compound name

3-[(E)-dodec-1-enyl]oxolane-2,5-dione

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 22300
Patents: 266.1882 Da
Monoisotopic Mass: 5.4
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]+	267.195476	166.8
[M+Na]+	289.177418	171.8
[M-H]-	265.180924	169.6
[M+NH4]+	284.222023	184.1
[M+K]+	305.151358	169.3
[M+H-H2O]+	249.185460	160.8
[M+HCOO]-	311.186401	187.1
[M+CH3COO]-	325.202051	198.4
[M+Na-2H]-	287.162866	166.8
[M]+	266.18765142	170.6
[M]-	266.18874858	170.6

Literature stripe

literature stripe

Patent stripe

patents stripe