CID 3086050

1-(2-(2-amino-1-propyl)aminoethyl)-3-methylpiperazine

Structural Information

Molecular Formula
C10H24N4
SMILES
C[C@H]1CN(CCN1)CCNC[C@H](C)N
InChI
InChI=1S/C10H24N4/c1-9(11)7-12-3-5-14-6-4-13-10(2)8-14/h9-10,12-13H,3-8,11H2,1-2H3/t9-,10-/m0/s1
InChIKey
IVNJEQYDZAFUEG-UWVGGRQHSA-N
Compound name
(2S)-1-N-[2-[(3S)-3-methylpiperazin-1-yl]ethyl]propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

200.2001 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.20738 151.6
[M+Na]+ 223.18932 154.1
[M-H]- 199.19282 149.3
[M+NH4]+ 218.23392 166.4
[M+K]+ 239.16326 151.5
[M+H-H2O]+ 183.19736 143.6
[M+HCOO]- 245.19830 167.7
[M+CH3COO]- 259.21395 189.5
[M+Na-2H]- 221.17477 153.4
[M]+ 200.19955 143.9
[M]- 200.20065 143.9
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.