CID 13802779

53485-05-5

Structural Information

Molecular Formula

C₉H₂₂N₂

SMILES

CC(C)N(CCCN)C(C)C

InChI

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

InChIKey

QPGRDTXELAFGRG-UHFFFAOYSA-N

Compound name

N',N'-di(propan-2-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 332
Patents: 158.1783 Da
Monoisotopic Mass: 1.3
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]+	159.18558	142.8
[M+Na]+	181.16752	146.8
[M-H]-	157.17102	143.6
[M+NH4]+	176.21212	163.6
[M+K]+	197.14146	147.7
[M+H-H2O]+	141.17556	136.9
[M+HCOO]-	203.17650	165.4
[M+CH3COO]-	217.19215	190.6
[M+Na-2H]-	179.15297	144.1
[M]+	158.17775	142.4
[M]-	158.17885	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe