CID 2050656

705941-45-3

Structural Information

Molecular Formula

C₈H₁₄N₂O₃

SMILES

CC(=O)N1CCN(CC1)CC(=O)O

InChI

InChI=1S/C8H14N2O3/c1-7(11)10-4-2-9(3-5-10)6-8(12)13/h2-6H2,1H3,(H,12,13)

InChIKey

LOJWUWGLJZYAOE-UHFFFAOYSA-N

Compound name

2-(4-acetylpiperazin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 39
Patents: 186.10045 Da
Monoisotopic Mass: -3.2
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]+	187.107726	141.2
[M+Na]+	209.089668	146.5
[M-H]-	185.093174	140.0
[M+NH4]+	204.134273	157.3
[M+K]+	225.063608	145.7
[M+H-H2O]+	169.097710	134.2
[M+HCOO]-	231.098651	156.7
[M+CH3COO]-	245.114301	178.8
[M+Na-2H]-	207.075116	143.4
[M]+	186.09990142	137.6
[M]-	186.10099858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe