CID 130932923

2-(3,3-dimethylpiperazin-1-yl)acetic acid dihydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CC1(CN(CCN1)CC(=O)O)C
InChI
InChI=1S/C8H16N2O2/c1-8(2)6-10(4-3-9-8)5-7(11)12/h9H,3-6H2,1-2H3,(H,11,12)
InChIKey
GGZCVRSZEDHAJI-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylpiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 140.1
[M+Na]+ 195.11041 149.2
[M+NH4]+ 190.15501 147.8
[M+K]+ 211.08435 143.3
[M-H]- 171.11391 138.8
[M+Na-2H]- 193.09586 144.1
[M]+ 172.12064 140.7
[M]- 172.12174 140.7
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

No patent data available for this compound.