CID 152793

N,n-dipropylcyclohexanecarboxamide

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCCN(CCC)C(=O)C1CCCCC1

InChI

InChI=1S/C13H25NO/c1-3-10-14(11-4-2)13(15)12-8-6-5-7-9-12/h12H,3-11H2,1-2H3

InChIKey

ZUDNLMHWFHBFNC-UHFFFAOYSA-N

Compound name

N,N-dipropylcyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 211.19362 Da
Monoisotopic Mass: 3.6
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]+	212.200896	154.4
[M+Na]+	234.182838	156.3
[M-H]-	210.186344	157.6
[M+NH4]+	229.227443	173.1
[M+K]+	250.156778	155.8
[M+H-H2O]+	194.190880	147.5
[M+HCOO]-	256.191821	174.1
[M+CH3COO]-	270.207471	194.2
[M+Na-2H]-	232.168286	155.6
[M]+	211.19307142	151.9
[M]-	211.19416858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe