CID 65300

51115-67-4

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

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

InChI

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

InChIKey

RWAXQWRDVUOOGG-UHFFFAOYSA-N

Compound name

N,2,3-trimethyl-2-propan-2-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 9475
Patents: 171.16231 Da
Monoisotopic Mass: 2.5
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	142.7
[M+Na]+	194.15153	147.7
[M-H]-	170.15503	142.9
[M+NH4]+	189.19613	163.1
[M+K]+	210.12547	148.1
[M+H-H2O]+	154.15957	138.2
[M+HCOO]-	216.16051	162.2
[M+CH3COO]-	230.17616	187.4
[M+Na-2H]-	192.13698	144.9
[M]+	171.16176	143.0
[M]-	171.16286	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe