CID 81629

1,4-bis(3-aminopropyl)piperazine

Structural Information

Molecular Formula
C10H24N4
SMILES
C1CN(CCN1CCCN)CCCN
InChI
InChI=1S/C10H24N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-12H2
InChIKey
XUSNPFGLKGCWGN-UHFFFAOYSA-N
Compound name
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

24
References

19169
Patents

200.2001 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.20738 150.5
[M+Na]+ 223.18932 153.6
[M-H]- 199.19282 148.9
[M+NH4]+ 218.23392 165.8
[M+K]+ 239.16326 151.1
[M+H-H2O]+ 183.19736 142.1
[M+HCOO]- 245.19830 168.5
[M+CH3COO]- 259.21395 190.5
[M+Na-2H]- 221.17477 153.1
[M]+ 200.19955 144.4
[M]- 200.20065 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe