CID 87191

17616-03-4

Structural Information

Molecular Formula

C₁₆H₂₇NO₂

SMILES

CCCCCCCCCCCCN1C(=O)C=CC1=O

InChI

InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19/h12-13H,2-11,14H2,1H3

InChIKey

SJLLJZNSZJHXQN-UHFFFAOYSA-N

Compound name

1-dodecylpyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 9929
Patents: 265.2042 Da
Monoisotopic Mass: 6.0
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	167.1
[M+Na]+	288.19342	172.7
[M-H]-	264.19692	168.1
[M+NH4]+	283.23802	184.4
[M+K]+	304.16736	169.2
[M+H-H2O]+	248.20146	159.8
[M+HCOO]-	310.20240	188.0
[M+CH3COO]-	324.21805	200.1
[M+Na-2H]-	286.17887	166.8
[M]+	265.20365	171.5
[M]-	265.20475	171.5

Literature stripe

literature stripe

Patent stripe

patents stripe