CID 469925

22687-38-3

Structural Information

Molecular Formula

C₁₁H₂₆N₂

SMILES

CC(C)(C)NCCCNC(C)(C)C

InChI

InChI=1S/C11H26N2/c1-10(2,3)12-8-7-9-13-11(4,5)6/h12-13H,7-9H2,1-6H3

InChIKey

NIMAFSFVBYEOTB-UHFFFAOYSA-N

Compound name

N,N'-ditert-butylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 186.2096 Da
Monoisotopic Mass: 1.7
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]+	187.21688	149.7
[M+Na]+	209.19882	154.2
[M-H]-	185.20232	149.7
[M+NH4]+	204.24342	169.5
[M+K]+	225.17276	153.4
[M+H-H2O]+	169.20686	144.9
[M+HCOO]-	231.20780	170.7
[M+CH3COO]-	245.22345	191.5
[M+Na-2H]-	207.18427	155.8
[M]+	186.20905	150.0
[M]-	186.21015	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe