CID 3155212

3-(4-ethylpiperazin-1-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCN1CCN(CC1)CCC(=O)O
InChI
InChI=1S/C9H18N2O2/c1-2-10-5-7-11(8-6-10)4-3-9(12)13/h2-8H2,1H3,(H,12,13)
InChIKey
IIFIFJPUSDQJBR-UHFFFAOYSA-N
Compound name
3-(4-ethylpiperazin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

186.13683 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.3
[M+Na]+ 209.126048 149.1
[M-H]- 185.129554 142.7
[M+NH4]+ 204.170653 160.5
[M+K]+ 225.099988 147.6
[M+H-H2O]+ 169.134090 137.0
[M+HCOO]- 231.135031 160.0
[M+CH3COO]- 245.150681 180.3
[M+Na-2H]- 207.111496 147.0
[M]+ 186.13628142 141.0
[M]- 186.13737858 141.0
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