CID 116094

1-carbethoxy-4-ethylpiperazine hydrochloride

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCN1CCN(CC1)C(=O)OCC
InChI
InChI=1S/C9H18N2O2/c1-3-10-5-7-11(8-6-10)9(12)13-4-2/h3-8H2,1-2H3
InChIKey
DMHCQRMESDDXNG-UHFFFAOYSA-N
Compound name
ethyl 4-ethylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

186.13683 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 143.9
[M+Na]+ 209.12605 149.3
[M-H]- 185.12955 143.9
[M+NH4]+ 204.17065 161.1
[M+K]+ 225.09999 148.9
[M+H-H2O]+ 169.13409 136.5
[M+HCOO]- 231.13503 161.2
[M+CH3COO]- 245.15068 181.6
[M+Na-2H]- 207.11150 147.2
[M]+ 186.13628 142.4
[M]- 186.13738 142.4
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