CID 60205087

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

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CC(C)(CN1CCNCC1)C(=O)O
InChI
InChI=1S/C9H18N2O2/c1-9(2,8(12)13)7-11-5-3-10-4-6-11/h10H,3-7H2,1-2H3,(H,12,13)
InChIKey
SRFQGGILXTWIKS-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-piperazin-1-ylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.13683 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 145.4
[M+Na]+ 209.12605 149.2
[M-H]- 185.12955 142.4
[M+NH4]+ 204.17065 160.6
[M+K]+ 225.09999 147.3
[M+H-H2O]+ 169.13409 138.9
[M+HCOO]- 231.13503 157.9
[M+CH3COO]- 245.15068 176.9
[M+Na-2H]- 207.11150 149.0
[M]+ 186.13628 139.3
[M]- 186.13738 139.3
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