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

95
Patents

172.12119 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 139.7
[M+Na]+ 195.110408 144.7
[M-H]- 171.113914 138.4
[M+NH4]+ 190.155013 156.4
[M+K]+ 211.084348 144.0
[M+H-H2O]+ 155.118450 132.8
[M+HCOO]- 217.119391 154.7
[M+CH3COO]- 231.135041 178.2
[M+Na-2H]- 193.095856 141.8
[M]+ 172.12064142 135.4
[M]- 172.12173858 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