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

211
Patents

186.13683 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 144.8
[M+Na]+ 209.12605 148.7
[M-H]- 185.12955 142.8
[M+NH4]+ 204.17065 160.7
[M+K]+ 225.09999 147.2
[M+H-H2O]+ 169.13409 137.2
[M+HCOO]- 231.13503 160.5
[M+CH3COO]- 245.15068 178.5
[M+Na-2H]- 207.11150 148.2
[M]+ 186.13628 140.9
[M]- 186.13738 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