CID 207112

40004-08-8

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCOC(=O)CN1CCNCC1
InChI
InChI=1S/C8H16N2O2/c1-2-12-8(11)7-10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKey
MTFCXMJOGMHYAE-UHFFFAOYSA-N
Compound name
ethyl 2-piperazin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1803
Patents

172.12119 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 140.3
[M+Na]+ 195.110408 144.6
[M-H]- 171.113914 138.6
[M+NH4]+ 190.155013 156.8
[M+K]+ 211.084348 143.5
[M+H-H2O]+ 155.118450 132.9
[M+HCOO]- 217.119391 156.3
[M+CH3COO]- 231.135041 175.5
[M+Na-2H]- 193.095856 144.2
[M]+ 172.12064142 136.1
[M]- 172.12173858 136.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe