CID 379924

Nsc665116

Structural Information

Molecular Formula

C₁₂H₂₃NO

SMILES

CC1CCC(CC1)C(C)(C)NC(=O)C

InChI

InChI=1S/C12H23NO/c1-9-5-7-11(8-6-9)12(3,4)13-10(2)14/h9,11H,5-8H2,1-4H3,(H,13,14)

InChIKey

MDGYIWOSJQTJJU-UHFFFAOYSA-N

Compound name

N-[2-(4-methylcyclohexyl)propan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.17796 Da
Monoisotopic Mass: 2.8
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]+	198.185236	148.3
[M+Na]+	220.167178	152.0
[M-H]-	196.170684	151.0
[M+NH4]+	215.211783	167.5
[M+K]+	236.141118	150.9
[M+H-H2O]+	180.175220	143.0
[M+HCOO]-	242.176161	166.4
[M+CH3COO]-	256.191811	189.1
[M+Na-2H]-	218.152626	151.1
[M]+	197.17741142	144.2
[M]-	197.17850858	144.2

Literature stripe

literature stripe

Patent stripe

patents stripe