CID 15197650

1312935-03-7

Structural Information

Molecular Formula

C₁₀H₂₀N₄O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=N)N

InChI

InChI=1S/C10H20N4O2/c1-10(2,3)16-9(15)14-6-4-13(5-7-14)8(11)12/h4-7H2,1-3H3,(H3,11,12)

InChIKey

MJNAHJKRZWPBSX-UHFFFAOYSA-N

Compound name

tert-butyl 4-carbamimidoylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 228.15863 Da
Monoisotopic Mass: -0.1
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]+	229.16591	155.4
[M+Na]+	251.14785	159.4
[M-H]-	227.15135	155.2
[M+NH4]+	246.19245	170.0
[M+K]+	267.12179	158.6
[M+H-H2O]+	211.15589	148.2
[M+HCOO]-	273.15683	171.5
[M+CH3COO]-	287.17248	193.1
[M+Na-2H]-	249.13330	157.6
[M]+	228.15808	149.8
[M]-	228.15918	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe