CID 50988067

2138127-03-2

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=N)N

InChI

InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-6-4-5-8(7-14)9(12)13/h8H,4-7H2,1-3H3,(H3,12,13)

InChIKey

VMBVTZTVUJHADD-UHFFFAOYSA-N

Compound name

tert-butyl 3-carbamimidoylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 227.16338 Da
Monoisotopic Mass: 0.6
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]+	228.17066	153.9
[M+Na]+	250.15260	160.0
[M+NH4]+	245.19720	159.3
[M+K]+	266.12654	157.4
[M-H]-	226.15610	153.4
[M+Na-2H]-	248.13805	155.7
[M]+	227.16283	154.0
[M]-	227.16393	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe