CID 12066943

556082-02-1

Structural Information

Molecular Formula

C₉H₂₁N₃O₂

SMILES

CC(C)(C)OC(=O)N(CCN)CCN

InChI

InChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7,10-11H2,1-3H3

InChIKey

VORKTMXRWZVRLA-UHFFFAOYSA-N

Compound name

tert-butyl N,N-bis(2-aminoethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 203.16338 Da
Monoisotopic Mass: -0.8
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]+	204.17066	150.0
[M+Na]+	226.15260	154.2
[M-H]-	202.15610	150.4
[M+NH4]+	221.19720	168.5
[M+K]+	242.12654	155.1
[M+H-H2O]+	186.16064	143.9
[M+HCOO]-	248.16158	173.2
[M+CH3COO]-	262.17723	195.5
[M+Na-2H]-	224.13805	152.6
[M]+	203.16283	149.8
[M]-	203.16393	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe