CID 2736466

Ethyl 3-(piperazin-1-yl)propanoate

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCOC(=O)CCN1CCNCC1
InChI
InChI=1S/C9H18N2O2/c1-2-13-9(12)3-6-11-7-4-10-5-8-11/h10H,2-8H2,1H3
InChIKey
XCLNGVSHLDOGFR-UHFFFAOYSA-N
Compound name
ethyl 3-piperazin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

186.13683 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 144.8
[M+Na]+ 209.126048 148.7
[M-H]- 185.129554 142.8
[M+NH4]+ 204.170653 160.7
[M+K]+ 225.099988 147.2
[M+H-H2O]+ 169.134090 137.2
[M+HCOO]- 231.135031 160.5
[M+CH3COO]- 245.150681 178.5
[M+Na-2H]- 207.111496 148.2
[M]+ 186.13628142 140.9
[M]- 186.13737858 140.9
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

patents stripe