CID 118594

Einecs 251-813-4

Structural Information

Molecular Formula

C₆H₁₇N₃

SMILES

CNCCN(C)CCN

InChI

InChI=1S/C6H17N3/c1-8-4-6-9(2)5-3-7/h8H,3-7H2,1-2H3

InChIKey

BYWDOHJOAPKMOF-UHFFFAOYSA-N

Compound name

N'-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 116
Patents: 131.14224 Da
Monoisotopic Mass: -0.9
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]+	132.149516	130.9
[M+Na]+	154.131458	135.6
[M-H]-	130.134964	131.9
[M+NH4]+	149.176063	152.4
[M+K]+	170.105398	136.4
[M+H-H2O]+	114.139500	124.8
[M+HCOO]-	176.140441	157.5
[M+CH3COO]-	190.156091	184.7
[M+Na-2H]-	152.116906	136.6
[M]+	131.14169142	129.9
[M]-	131.14278858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe