CID 3015833

Dodecenylsuccinimide

Structural Information

Molecular Formula

C₁₆H₂₇NO₂

SMILES

CCCCCCCCCCC=CC1CC(=O)NC1=O

InChI

InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(18)17-16(14)19/h11-12,14H,2-10,13H2,1H3,(H,17,18,19)

InChIKey

YGFOTRAPPJDADS-UHFFFAOYSA-N

Compound name

3-dodec-1-enylpyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 265.2042 Da
Monoisotopic Mass: 4.8
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]+	266.21148	168.4
[M+Na]+	288.19342	173.0
[M-H]-	264.19692	167.7
[M+NH4]+	283.23802	184.9
[M+K]+	304.16736	168.1
[M+H-H2O]+	248.20146	161.5
[M+HCOO]-	310.20240	186.6
[M+CH3COO]-	324.21805	196.4
[M+Na-2H]-	286.17887	166.7
[M]+	265.20365	168.7
[M]-	265.20475	168.7

Literature stripe

literature stripe

Patent stripe

patents stripe