CID 54676715

3-decyl-2,5-dioxo-4-hydroxy-3-pyrroline

Structural Information

Molecular Formula

C₁₄H₂₃NO₃

SMILES

CCCCCCCCCCC1=C(C(=O)NC1=O)O

InChI

InChI=1S/C14H23NO3/c1-2-3-4-5-6-7-8-9-10-11-12(16)14(18)15-13(11)17/h2-10H2,1H3,(H2,15,16,17,18)

InChIKey

LXIDJQZEXUQBGG-UHFFFAOYSA-N

Compound name

3-decyl-4-hydroxypyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 253.1678 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]+	254.175076	161.5
[M+Na]+	276.157018	168.0
[M-H]-	252.160524	160.5
[M+NH4]+	271.201623	178.2
[M+K]+	292.130958	163.7
[M+H-H2O]+	236.165060	155.3
[M+HCOO]-	298.166001	180.3
[M+CH3COO]-	312.181651	192.2
[M+Na-2H]-	274.142466	160.8
[M]+	253.16725142	163.3
[M]-	253.16834858	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe