CID 71587406

Caprylic diisopropanolamide

Structural Information

Molecular Formula

C₁₄H₂₉NO₃

SMILES

CCCCCCCC(=O)N(CC(C)O)CC(C)O

InChI

InChI=1S/C14H29NO3/c1-4-5-6-7-8-9-14(18)15(10-12(2)16)11-13(3)17/h12-13,16-17H,4-11H2,1-3H3

InChIKey

CURGOLCMVABTPM-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxypropyl)octanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 259.21475 Da
Monoisotopic Mass: 2.2
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]+	260.22203	166.9
[M+Na]+	282.20397	172.2
[M+NH4]+	277.24857	171.5
[M+K]+	298.17791	168.9
[M-H]-	258.20747	164.2
[M+Na-2H]-	280.18942	166.0
[M]+	259.21420	166.3
[M]-	259.21530	166.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe