CID 23423558

Schembl4746164

Structural Information

Molecular Formula

C₁₀H₂₅N₃

SMILES

CC(C)NCCNCCNC(C)C

InChI

InChI=1S/C10H25N3/c1-9(2)12-7-5-11-6-8-13-10(3)4/h9-13H,5-8H2,1-4H3

InChIKey

ZMPVYUQJASSVMZ-UHFFFAOYSA-N

Compound name

N'-propan-2-yl-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 38
Patents: 187.20485 Da
Monoisotopic Mass: 0.5
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]+	188.212126	150.3
[M+Na]+	210.194068	152.7
[M-H]-	186.197574	149.8
[M+NH4]+	205.238673	169.1
[M+K]+	226.168008	152.4
[M+H-H2O]+	170.202110	143.7
[M+HCOO]-	232.203051	173.7
[M+CH3COO]-	246.218701	195.7
[M+Na-2H]-	208.179516	153.1
[M]+	187.20430142	149.2
[M]-	187.20539858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe