CID 20984892

2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid dihydrochloride

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CC(C)(CN1CCN(CC1)C)C(=O)O
InChI
InChI=1S/C10H20N2O2/c1-10(2,9(13)14)8-12-6-4-11(3)5-7-12/h4-8H2,1-3H3,(H,13,14)
InChIKey
CJPFOPAVOCAAFH-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(4-methylpiperazin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

200.15248 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 148.6
[M+Na]+ 223.141698 153.5
[M-H]- 199.145204 147.3
[M+NH4]+ 218.186303 164.4
[M+K]+ 239.115638 152.2
[M+H-H2O]+ 183.149740 142.0
[M+HCOO]- 245.150681 162.4
[M+CH3COO]- 259.166331 183.7
[M+Na-2H]- 221.127146 151.7
[M]+ 200.15193142 145.2
[M]- 200.15302858 145.2
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