CID 5748772

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

Structural Information

Molecular Formula
C8H22N4
SMILES
C[C@H](CN)NCCNC[C@H](C)N
InChI
InChI=1S/C8H22N4/c1-7(10)6-11-3-4-12-8(2)5-9/h7-8,11-12H,3-6,9-10H2,1-2H3/t7-,8+/m0/s1
InChIKey
UDRMRSLPPDGMPF-JGVFFNPUSA-N
Compound name
(2R)-2-N-[2-[[(2S)-2-aminopropyl]amino]ethyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

174.18445 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.19173 144.0
[M+Na]+ 197.17367 146.5
[M-H]- 173.17717 142.8
[M+NH4]+ 192.21827 162.3
[M+K]+ 213.14761 146.1
[M+H-H2O]+ 157.18171 137.2
[M+HCOO]- 219.18265 167.8
[M+CH3COO]- 233.19830 193.7
[M+Na-2H]- 195.15912 146.1
[M]+ 174.18390 139.4
[M]- 174.18500 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.