CID 469912

4014-00-0

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

CCC(C)NCCNC(C)C

InChI

InChI=1S/C9H22N2/c1-5-9(4)11-7-6-10-8(2)3/h8-11H,5-7H2,1-4H3

InChIKey

VELKVXYYFGKWRG-UHFFFAOYSA-N

Compound name

N'-butan-2-yl-N-propan-2-ylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 158.1783 Da
Monoisotopic Mass: 1.5
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]+	159.18558	142.3
[M+Na]+	181.16752	146.0
[M-H]-	157.17102	142.1
[M+NH4]+	176.21212	162.7
[M+K]+	197.14146	145.9
[M+H-H2O]+	141.17556	136.5
[M+HCOO]-	203.17650	165.1
[M+CH3COO]-	217.19215	187.7
[M+Na-2H]-	179.15297	145.5
[M]+	158.17775	141.7
[M]-	158.17885	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe