CID 15343154

Methyl 3-(piperazin-1-yl)propanoate dihydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
COC(=O)CCN1CCNCC1
InChI
InChI=1S/C8H16N2O2/c1-12-8(11)2-5-10-6-3-9-4-7-10/h9H,2-7H2,1H3
InChIKey
BVNFBHOJDPAZAX-UHFFFAOYSA-N
Compound name
methyl 3-piperazin-1-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

172.12119 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.3
[M+Na]+ 195.11041 144.6
[M-H]- 171.11391 138.6
[M+NH4]+ 190.15501 156.8
[M+K]+ 211.08435 143.5
[M+H-H2O]+ 155.11845 132.9
[M+HCOO]- 217.11939 156.3
[M+CH3COO]- 231.13504 175.5
[M+Na-2H]- 193.09586 144.2
[M]+ 172.12064 136.1
[M]- 172.12174 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

No literature data available for this compound.

Patent stripe

patents stripe