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

73
Patents

186.13683 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.3
[M+Na]+ 209.12605 149.1
[M-H]- 185.12955 142.7
[M+NH4]+ 204.17065 160.5
[M+K]+ 225.09999 147.6
[M+H-H2O]+ 169.13409 137.0
[M+HCOO]- 231.13503 160.0
[M+CH3COO]- 245.15068 180.3
[M+Na-2H]- 207.11150 147.0
[M]+ 186.13628 141.0
[M]- 186.13738 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