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]+ 175.191726 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
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.