CID 235157

2188-09-2

Structural Information

Molecular Formula

C₈H₁₈N₄O₂

SMILES

C(CCCNC(=O)N)CCNC(=O)N

InChI

InChI=1S/C8H18N4O2/c9-7(13)11-5-3-1-2-4-6-12-8(10)14/h1-6H2,(H3,9,11,13)(H3,10,12,14)

InChIKey

OJLHBQIGOFOFJF-UHFFFAOYSA-N

Compound name

6-(carbamoylamino)hexylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 479
Patents: 202.14297 Da
Monoisotopic Mass: -0.9
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]+	203.150246	146.7
[M+Na]+	225.132188	149.7
[M-H]-	201.135694	145.5
[M+NH4]+	220.176793	163.7
[M+K]+	241.106128	149.1
[M+H-H2O]+	185.140230	139.5
[M+HCOO]-	247.141171	171.4
[M+CH3COO]-	261.156821	194.9
[M+Na-2H]-	223.117636	148.9
[M]+	202.14242142	143.3
[M]-	202.14351858	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe