CID 3084955

N,n'-bis(2-amino-1-propyl)ethanediamine

Structural Information

Molecular Formula

C₈H₂₂N₄

SMILES

C[C@H](CNCCNC[C@H](C)N)N

InChI

InChI=1S/C8H22N4/c1-7(9)5-11-3-4-12-6-8(2)10/h7-8,11-12H,3-6,9-10H2,1-2H3/t7-,8+

InChIKey

NZNLWMMWMCQCIE-OCAPTIKFSA-N

Compound name

(2R)-1-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 174.18445 Da
Monoisotopic Mass: -1.6
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]+	175.191726	144.0
[M+Na]+	197.173668	146.5
[M-H]-	173.177174	142.8
[M+NH4]+	192.218273	162.3
[M+K]+	213.147608	146.1
[M+H-H2O]+	157.181710	137.2
[M+HCOO]-	219.182651	167.8
[M+CH3COO]-	233.198301	193.7
[M+Na-2H]-	195.159116	146.1
[M]+	174.18390142	139.4
[M]-	174.18499858	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe