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]+ 173.128466 139.9
[M+Na]+ 195.110408 145.7
[M-H]- 171.113914 137.6
[M+NH4]+ 190.155013 158.1
[M+K]+ 211.084348 143.9
[M+H-H2O]+ 155.118450 134.1
[M+HCOO]- 217.119391 154.4
[M+CH3COO]- 231.135041 174.3
[M+Na-2H]- 193.095856 143.9
[M]+ 172.12064142 134.7
[M]- 172.12173858 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.