CID 221978

N,n-diisopropylisobutyramide

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC(C)C(=O)N(C(C)C)C(C)C

InChI

InChI=1S/C10H21NO/c1-7(2)10(12)11(8(3)4)9(5)6/h7-9H,1-6H3

InChIKey

QBBRHCGHMJKLIR-UHFFFAOYSA-N

Compound name

2-methyl-N,N-di(propan-2-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 228
Patents: 171.16231 Da
Monoisotopic Mass: 2.4
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]+	172.16959	143.2
[M+Na]+	194.15153	151.1
[M+NH4]+	189.19613	150.4
[M+K]+	210.12547	147.8
[M-H]-	170.15503	142.7
[M+Na-2H]-	192.13698	145.2
[M]+	171.16176	143.9
[M]-	171.16286	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe