CID 3084810

40948-33-2

Structural Information

Molecular Formula

C₉H₁₉N₃O₂

SMILES

CN(CCCNC=O)CCCNC=O

InChI

InChI=1S/C9H19N3O2/c1-12(6-2-4-10-8-13)7-3-5-11-9-14/h8-9H,2-7H2,1H3,(H,10,13)(H,11,14)

InChIKey

OYBJIUFXAWECLJ-UHFFFAOYSA-N

Compound name

N-[3-[3-formamidopropyl(methyl)amino]propyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 201.14772 Da
Monoisotopic Mass: -0.4
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]+	202.15500	147.6
[M+Na]+	224.13694	153.9
[M+NH4]+	219.18154	153.3
[M+K]+	240.11088	148.9
[M-H]-	200.14044	147.4
[M+Na-2H]-	222.12239	149.9
[M]+	201.14717	147.8
[M]-	201.14827	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe