CID 379926

Nsc665118

Structural Information

Molecular Formula

C₁₂H₂₁NO

SMILES

CC1=CCC(CC1)C(C)(C)NC(=O)C

InChI

InChI=1S/C12H21NO/c1-9-5-7-11(8-6-9)12(3,4)13-10(2)14/h5,11H,6-8H2,1-4H3,(H,13,14)

InChIKey

VEJCRBUNIYKDTJ-UHFFFAOYSA-N

Compound name

N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 195.16231 Da
Monoisotopic Mass: 1.8
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]+	196.16959	146.6
[M+Na]+	218.15153	151.4
[M-H]-	194.15503	149.7
[M+NH4]+	213.19613	166.0
[M+K]+	234.12547	150.0
[M+H-H2O]+	178.15957	141.2
[M+HCOO]-	240.16051	166.2
[M+CH3COO]-	254.17616	188.7
[M+Na-2H]-	216.13698	150.4
[M]+	195.16176	144.0
[M]-	195.16286	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe