CID 62786307

1-(azetidin-3-yl)-4-ethylpiperazine trihydrochloride

Structural Information

Molecular Formula
C9H19N3
SMILES
CCN1CCN(CC1)C2CNC2
InChI
InChI=1S/C9H19N3/c1-2-11-3-5-12(6-4-11)9-7-10-8-9/h9-10H,2-8H2,1H3
InChIKey
GFDHXJSILDAMHC-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-4-ethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

169.1579 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.16518 139.8
[M+Na]+ 192.14712 143.3
[M-H]- 168.15062 139.6
[M+NH4]+ 187.19172 149.0
[M+K]+ 208.12106 144.0
[M+H-H2O]+ 152.15516 126.3
[M+HCOO]- 214.15610 153.0
[M+CH3COO]- 228.17175 180.9
[M+Na-2H]- 190.13257 143.4
[M]+ 169.15735 141.4
[M]- 169.15845 141.4
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

patents stripe