CID 62907

39711-79-0

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCNC(=O)C1CC(CCC1C(C)C)C

InChI

InChI=1S/C13H25NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,14,15)

InChIKey

VUNOFAIHSALQQH-UHFFFAOYSA-N

Compound name

N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 11845
Patents: 211.19362 Da
Monoisotopic Mass: 3.5
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	153.5
[M+Na]+	234.182838	157.0
[M-H]-	210.186344	156.1
[M+NH4]+	229.227443	172.2
[M+K]+	250.156778	155.6
[M+H-H2O]+	194.190880	147.6
[M+HCOO]-	256.191821	171.7
[M+CH3COO]-	270.207471	193.9
[M+Na-2H]-	232.168286	152.9
[M]+	211.19307142	149.9
[M]-	211.19416858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe