CID 4058492

50326-52-8

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

C(CCNC=O)CNC=O

InChI

InChI=1S/C6H12N2O2/c9-5-7-3-1-2-4-8-6-10/h5-6H,1-4H2,(H,7,9)(H,8,10)

InChIKey

XAQWCVPBQWSGPA-UHFFFAOYSA-N

Compound name

N-(4-formamidobutyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 144.08987 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]+	145.09715	129.1
[M+Na]+	167.07909	135.0
[M-H]-	143.08259	129.1
[M+NH4]+	162.12369	149.8
[M+K]+	183.05303	134.4
[M+H-H2O]+	127.08713	123.4
[M+HCOO]-	189.08807	155.7
[M+CH3COO]-	203.10372	179.1
[M+Na-2H]-	165.06454	136.6
[M]+	144.08932	130.2
[M]-	144.09042	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe