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 139.9
[M+Na]+ 195.11041 145.7
[M-H]- 171.11391 137.6
[M+NH4]+ 190.15501 158.1
[M+K]+ 211.08435 143.9
[M+H-H2O]+ 155.11845 134.1
[M+HCOO]- 217.11939 154.4
[M+CH3COO]- 231.13504 174.3
[M+Na-2H]- 193.09586 143.9
[M]+ 172.12064 134.7
[M]- 172.12174 134.7
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.