CID 91881

56471-46-6

Structural Information

Molecular Formula

C₁₄H₂₇NO

SMILES

CCNC(=O)C1(CCCCCC1C)C(C)C

InChI

InChI=1S/C14H27NO/c1-5-15-13(16)14(11(2)3)10-8-6-7-9-12(14)4/h11-12H,5-10H2,1-4H3,(H,15,16)

InChIKey

UVRKUXJUOHSYTP-UHFFFAOYSA-N

Compound name

N-ethyl-2-methyl-1-propan-2-ylcycloheptane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 225.20926 Da
Monoisotopic Mass: 4.1
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]+	226.216536	151.2
[M+Na]+	248.198478	152.5
[M-H]-	224.201984	154.7
[M+NH4]+	243.243083	169.6
[M+K]+	264.172418	155.4
[M+H-H2O]+	208.206520	146.2
[M+HCOO]-	270.207461	168.5
[M+CH3COO]-	284.223111	196.2
[M+Na-2H]-	246.183926	152.1
[M]+	225.20871142	144.9
[M]-	225.20980858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe