CID 1395380

55480-45-0

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CN1CCN(CC1)CCC(=O)O
InChI
InChI=1S/C8H16N2O2/c1-9-4-6-10(7-5-9)3-2-8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
JSHLMMUXJIDENZ-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

547
Patents

172.12119 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 139.8
[M+Na]+ 195.11041 145.0
[M-H]- 171.11391 138.4
[M+NH4]+ 190.15501 156.6
[M+K]+ 211.08435 143.8
[M+H-H2O]+ 155.11845 132.8
[M+HCOO]- 217.11939 155.8
[M+CH3COO]- 231.13504 177.3
[M+Na-2H]- 193.09586 143.1
[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

literature stripe

Patent stripe

patents stripe