CID 91907

N-ethyl-2-isopropylcycloheptanecarboxamide

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCNC(=O)C1CCCCCC1C(C)C

InChI

InChI=1S/C13H25NO/c1-4-14-13(15)12-9-7-5-6-8-11(12)10(2)3/h10-12H,4-9H2,1-3H3,(H,14,15)

InChIKey

GFWOMJATTSHQFM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 211.19362 Da
Monoisotopic Mass: 3.8
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	147.6
[M+Na]+	234.182838	148.4
[M-H]-	210.186344	151.0
[M+NH4]+	229.227443	164.7
[M+K]+	250.156778	151.8
[M+H-H2O]+	194.190880	142.1
[M+HCOO]-	256.191821	165.3
[M+CH3COO]-	270.207471	193.8
[M+Na-2H]-	232.168286	147.9
[M]+	211.19307142	140.7
[M]-	211.19416858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe