CID 3016624

51200-99-8

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCC(C)C1(CCCCC1)C(=O)NCC

InChI

InChI=1S/C13H25NO/c1-4-11(3)13(12(15)14-5-2)9-7-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15)

InChIKey

CGGBZUIEPKRGGJ-UHFFFAOYSA-N

Compound name

1-butan-2-yl-N-ethylcyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.19362 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]+	212.200896	154.0
[M+Na]+	234.182838	156.5
[M-H]-	210.186344	156.2
[M+NH4]+	229.227443	174.1
[M+K]+	250.156778	155.4
[M+H-H2O]+	194.190880	148.5
[M+HCOO]-	256.191821	172.3
[M+CH3COO]-	270.207471	191.1
[M+Na-2H]-	232.168286	156.0
[M]+	211.19307142	149.9
[M]-	211.19416858	149.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe