CID 6440616

78910-33-5

Structural Information

Molecular Formula

C₁₄H₂₃NO

SMILES

CCCCC/C=C/C=C/C(=O)N1CCCC1

InChI

InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-15/h6-8,11H,2-5,9-10,12-13H2,1H3/b7-6+,11-8+

InChIKey

BFZBGTMIBOQWBA-HRCSPUOPSA-N

Compound name

(2E,4E)-1-pyrrolidin-1-yldeca-2,4-dien-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 572
Patents: 221.17796 Da
Monoisotopic Mass: 3.7
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]+	222.18524	158.4
[M+Na]+	244.16718	162.3
[M-H]-	220.17068	158.9
[M+NH4]+	239.21178	176.9
[M+K]+	260.14112	159.0
[M+H-H2O]+	204.17522	151.2
[M+HCOO]-	266.17616	177.6
[M+CH3COO]-	280.19181	188.1
[M+Na-2H]-	242.15263	158.2
[M]+	221.17741	156.8
[M]-	221.17851	156.8

Literature stripe

literature stripe

Patent stripe

patents stripe