CID 21608

N-(1,1,3,3-tetramethylbutyl)acetamide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

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

InChI

InChI=1S/C10H21NO/c1-8(12)11-10(5,6)7-9(2,3)4/h7H2,1-6H3,(H,11,12)

InChIKey

NXQYSOPMKXVSTC-UHFFFAOYSA-N

Compound name

N-(2,4,4-trimethylpentan-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 171.16231 Da
Monoisotopic Mass: 2.2
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]+	172.16959	142.0
[M+Na]+	194.15153	147.9
[M-H]-	170.15503	142.4
[M+NH4]+	189.19613	162.7
[M+K]+	210.12547	147.8
[M+H-H2O]+	154.15957	138.1
[M+HCOO]-	216.16051	161.9
[M+CH3COO]-	230.17616	185.4
[M+Na-2H]-	192.13698	147.5
[M]+	171.16176	143.0
[M]-	171.16286	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe