CID 3017360

62787-29-5

Structural Information

Molecular Formula

C₁₀H₂₆N₄

SMILES

CN(C)CCN(CCCN)CCCN

InChI

InChI=1S/C10H26N4/c1-13(2)9-10-14(7-3-5-11)8-4-6-12/h3-12H2,1-2H3

InChIKey

YCWVTMPODMQZHM-UHFFFAOYSA-N

Compound name

N'-(3-aminopropyl)-N'-[2-(dimethylamino)ethyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 202.21574 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]+	203.223016	153.0
[M+Na]+	225.204958	155.4
[M-H]-	201.208464	154.2
[M+NH4]+	220.249563	171.6
[M+K]+	241.178898	156.2
[M+H-H2O]+	185.213000	145.3
[M+HCOO]-	247.213941	179.1
[M+CH3COO]-	261.229591	204.7
[M+Na-2H]-	223.190406	155.0
[M]+	202.21519142	152.9
[M]-	202.21628858	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe