CID 91819973

3-aminotridec-2-en-4-one

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCCCCCCCCC(=O)/C(=C/C)/N

InChI

InChI=1S/C13H25NO/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h4H,3,5-11,14H2,1-2H3/b12-4-

InChIKey

AEFOOMVSTFFCHM-QCDXTXTGSA-N

Compound name

(Z)-3-aminotridec-2-en-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 5
Patents: 211.19362 Da
Monoisotopic Mass: 4.4
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]+	212.20090	155.6
[M+Na]+	234.18284	163.1
[M+NH4]+	229.22744	161.8
[M+K]+	250.15678	157.1
[M-H]-	210.18634	154.6
[M+Na-2H]-	232.16829	156.7
[M]+	211.19307	156.0
[M]-	211.19417	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe