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

86
Patents

172.12119 Da
Monoisotopic Mass

-0.6
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

No literature data available for this compound.

Patent stripe

patents stripe