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: 8
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]+	228.170656	154.8
[M+Na]+	250.152598	158.2
[M-H]-	226.156104	155.8
[M+NH4]+	245.197203	170.7
[M+K]+	266.126538	157.3
[M+H-H2O]+	210.160640	148.2
[M+HCOO]-	272.161581	171.8
[M+CH3COO]-	286.177231	194.0
[M+Na-2H]-	248.138046	156.4
[M]+	227.16283142	149.0
[M]-	227.16392858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe