CID 2786632

82409-04-9

Structural Information

Molecular Formula

C₁₁H₂₅N₃O₂

SMILES

CC(C)(C)OC(=O)NCCCNCCCN

InChI

InChI=1S/C11H25N3O2/c1-11(2,3)16-10(15)14-9-5-8-13-7-4-6-12/h13H,4-9,12H2,1-3H3,(H,14,15)

InChIKey

DZFPOUXCPWBUDA-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(3-aminopropylamino)propyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 231.19467 Da
Monoisotopic Mass: 0.3
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]+	232.20195	158.3
[M+Na]+	254.18389	161.5
[M-H]-	230.18739	157.4
[M+NH4]+	249.22849	175.3
[M+K]+	270.15783	160.8
[M+H-H2O]+	214.19193	151.9
[M+HCOO]-	276.19287	181.0
[M+CH3COO]-	290.20852	198.8
[M+Na-2H]-	252.16934	161.8
[M]+	231.19412	158.7
[M]-	231.19522	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe