CID 2396523

126947-45-3

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₂

SMILES

CC(C)CCNC(=O)CC(=O)NCCC(C)C

InChI

InChI=1S/C13H26N2O2/c1-10(2)5-7-14-12(16)9-13(17)15-8-6-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)(H,15,17)

InChIKey

UCTJMAHVRZXADJ-UHFFFAOYSA-N

Compound name

N,N'-bis(3-methylbutyl)propanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 242.19943 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]+	243.20671	164.8
[M+Na]+	265.18865	167.1
[M-H]-	241.19215	164.0
[M+NH4]+	260.23325	181.5
[M+K]+	281.16259	166.7
[M+H-H2O]+	225.19669	158.2
[M+HCOO]-	287.19763	185.2
[M+CH3COO]-	301.21328	202.4
[M+Na-2H]-	263.17410	163.3
[M]+	242.19888	165.7
[M]-	242.19998	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe