CID 20649699

2-(4-methylpiperazin-1-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(C(=O)O)N1CCN(CC1)C
InChI
InChI=1S/C8H16N2O2/c1-7(8(11)12)10-5-3-9(2)4-6-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey
LZRLSYGKEOASIP-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

172.12119 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 139.7
[M+Na]+ 195.11041 144.7
[M-H]- 171.11391 138.4
[M+NH4]+ 190.15501 156.4
[M+K]+ 211.08435 144.0
[M+H-H2O]+ 155.11845 132.8
[M+HCOO]- 217.11939 154.7
[M+CH3COO]- 231.13504 178.2
[M+Na-2H]- 193.09586 141.8
[M]+ 172.12064 135.4
[M]- 172.12174 135.4
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