CID 3050793

67027-04-7

Structural Information

Molecular Formula

C₁₁H₂₁N₅

SMILES

CC(C)(C)N=C(NC#N)N1CCN(CC1)C

InChI

InChI=1S/C11H21N5/c1-11(2,3)14-10(13-9-12)16-7-5-15(4)6-8-16/h5-8H2,1-4H3,(H,13,14)

InChIKey

ALTXNQWEWVHESE-UHFFFAOYSA-N

Compound name

N'-tert-butyl-N-cyano-4-methylpiperazine-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.1797 Da
Monoisotopic Mass: 0.5
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]+	224.18698	154.5
[M+Na]+	246.16892	159.8
[M-H]-	222.17242	155.2
[M+NH4]+	241.21352	168.4
[M+K]+	262.14286	158.9
[M+H-H2O]+	206.17696	139.9
[M+HCOO]-	268.17790	169.2
[M+CH3COO]-	282.19355	207.0
[M+Na-2H]-	244.15437	158.2
[M]+	223.17915	145.5
[M]-	223.18025	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.