CID 20549182

Schembl11291831

Structural Information

Molecular Formula

C₁₅H₂₉NO

SMILES

CC(C)C1CCCCCC1C(=O)NC(C)(C)C

InChI

InChI=1S/C15H29NO/c1-11(2)12-9-7-6-8-10-13(12)14(17)16-15(3,4)5/h11-13H,6-10H2,1-5H3,(H,16,17)

InChIKey

XUHIEWKUIPNAQF-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-propan-2-ylcycloheptane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 239.22491 Da
Monoisotopic Mass: 4.4
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]+	240.232186	154.6
[M+Na]+	262.214128	155.1
[M-H]-	238.217634	158.0
[M+NH4]+	257.258733	170.9
[M+K]+	278.188068	158.7
[M+H-H2O]+	222.222170	149.5
[M+HCOO]-	284.223111	170.3
[M+CH3COO]-	298.238761	199.2
[M+Na-2H]-	260.199576	154.8
[M]+	239.22436142	148.0
[M]-	239.22545858	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe