CID 161703

31295-54-2

Structural Information

Molecular Formula
C10H25N5
SMILES
C1CN(CCN1CCN)CCNCCN
InChI
InChI=1S/C10H25N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,1-12H2
InChIKey
CXNQJNPKMZRHBC-UHFFFAOYSA-N
Compound name
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

711
Patents

215.211 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.21828 152.3
[M+Na]+ 238.20022 154.7
[M-H]- 214.20372 150.8
[M+NH4]+ 233.24482 166.7
[M+K]+ 254.17416 152.2
[M+H-H2O]+ 198.20826 143.6
[M+HCOO]- 260.20920 171.5
[M+CH3COO]- 274.22485 195.7
[M+Na-2H]- 236.18567 155.5
[M]+ 215.21045 145.6
[M]- 215.21155 145.6
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