CID 60205087

2416230-55-0

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: 6
Patents: 186.13683 Da
Monoisotopic Mass: -2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.14411	143.9
[M+Na]+	209.12605	151.9
[M+NH4]+	204.17065	149.8
[M+K]+	225.09999	148.6
[M-H]-	185.12955	141.8
[M+Na-2H]-	207.11150	146.3
[M]+	186.13628	144.0
[M]-	186.13738	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe