CID 5289290

3-(carboxyamide(2-carboxyamide-2-tertbutylethyl))pentan

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CCC(CC)NC(=O)C[C@@H](C(=O)N)C(C)(C)C

InChI

InChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)/t10-/m0/s1

InChIKey

UVHRROJQACYJNP-JTQLQIEISA-N

Compound name

(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.19943 Da
Monoisotopic Mass: 1.9
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]+	243.206706	163.2
[M+Na]+	265.188648	166.0
[M-H]-	241.192154	162.3
[M+NH4]+	260.233253	179.9
[M+K]+	281.162588	165.9
[M+H-H2O]+	225.196690	157.5
[M+HCOO]-	287.197631	181.5
[M+CH3COO]-	301.213281	202.1
[M+Na-2H]-	263.174096	161.7
[M]+	242.19888142	162.6
[M]-	242.19997858	162.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.