CID 54857389

2-methyl-2-(piperazin-1-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC(C)(C(=O)O)N1CCNCC1
InChI
InChI=1S/C8H16N2O2/c1-8(2,7(11)12)10-5-3-9-4-6-10/h9H,3-6H2,1-2H3,(H,11,12)
InChIKey
GJWWEBIRTIIEGM-UHFFFAOYSA-N
Compound name
2-methyl-2-piperazin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.12119 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 140.9
[M+Na]+ 195.11041 145.2
[M-H]- 171.11391 138.1
[M+NH4]+ 190.15501 156.7
[M+K]+ 211.08435 143.5
[M+H-H2O]+ 155.11845 134.6
[M+HCOO]- 217.11939 153.8
[M+CH3COO]- 231.13504 173.9
[M+Na-2H]- 193.09586 145.1
[M]+ 172.12064 134.5
[M]- 172.12174 134.5
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