CID 3016600

2-isopropyl-n,n,2-trimethylhexanamide

Structural Information

Molecular Formula

C₁₂H₂₅NO

SMILES

CCCCC(C)(C(C)C)C(=O)N(C)C

InChI

InChI=1S/C12H25NO/c1-7-8-9-12(4,10(2)3)11(14)13(5)6/h10H,7-9H2,1-6H3

InChIKey

RNTPPLUFUHIOOM-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-2-propan-2-ylhexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.19362 Da
Monoisotopic Mass: 3.4
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]+	200.200896	151.3
[M+Na]+	222.182838	155.9
[M-H]-	198.186344	152.6
[M+NH4]+	217.227443	171.4
[M+K]+	238.156778	156.7
[M+H-H2O]+	182.190880	146.3
[M+HCOO]-	244.191821	171.7
[M+CH3COO]-	258.207471	196.1
[M+Na-2H]-	220.168286	153.0
[M]+	199.19307142	154.3
[M]-	199.19416858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe