CID 252521

1190-31-4

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CCCCCC(=O)NC(C)(C)C

InChI

InChI=1S/C10H21NO/c1-5-6-7-8-9(12)11-10(2,3)4/h5-8H2,1-4H3,(H,11,12)

InChIKey

IIDVPTZPTHTXSC-UHFFFAOYSA-N

Compound name

N-tert-butylhexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	143.5
[M+Na]+	194.15153	148.9
[M-H]-	170.15503	143.6
[M+NH4]+	189.19613	164.1
[M+K]+	210.12547	148.4
[M+H-H2O]+	154.15957	138.8
[M+HCOO]-	216.16051	165.0
[M+CH3COO]-	230.17616	184.9
[M+Na-2H]-	192.13698	148.1
[M]+	171.16176	145.0
[M]-	171.16286	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe