CID 87180487

Ns00132999

Structural Information

Molecular Formula

C₁₄H₂₉NO

SMILES

CN(C)CCCCCCCCCCCC=O

InChI

InChI=1S/C14H29NO/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16/h14H,3-13H2,1-2H3

InChIKey

UOZHHRMXAODHHX-UHFFFAOYSA-N

Compound name

12-(dimethylamino)dodecanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 227.22491 Da
Monoisotopic Mass: 4.0
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]+	228.232186	161.3
[M+Na]+	250.214128	164.8
[M-H]-	226.217634	161.6
[M+NH4]+	245.258733	180.0
[M+K]+	266.188068	163.7
[M+H-H2O]+	210.222170	154.7
[M+HCOO]-	272.223111	184.4
[M+CH3COO]-	286.238761	200.8
[M+Na-2H]-	248.199576	163.6
[M]+	227.22436142	166.9
[M]-	227.22545858	166.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe