CID 116091

63981-40-8

Structural Information

Molecular Formula

C₈H₁₆N₄O₂

SMILES

CCOC(=O)N1CCN(CC1)C(=N)N

InChI

InChI=1S/C8H16N4O2/c1-2-14-8(13)12-5-3-11(4-6-12)7(9)10/h2-6H2,1H3,(H3,9,10)

InChIKey

KHDJJENVIFJHSD-UHFFFAOYSA-N

Compound name

ethyl 4-carbamimidoylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 200.12732 Da
Monoisotopic Mass: -0.7
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]+	201.13460	146.6
[M+Na]+	223.11654	150.8
[M-H]-	199.12004	146.3
[M+NH4]+	218.16114	162.0
[M+K]+	239.09048	150.0
[M+H-H2O]+	183.12458	138.7
[M+HCOO]-	245.12552	164.8
[M+CH3COO]-	259.14117	187.4
[M+Na-2H]-	221.10199	148.9
[M]+	200.12677	140.7
[M]-	200.12787	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe