CID 2759512

95470-68-1

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C9H18N2O2/c1-8(2)11-5-3-10(4-6-11)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)

InChIKey

ABCKTSYFMNBGKM-UHFFFAOYSA-N

Compound name

2-(4-propan-2-ylpiperazin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 186.13683 Da
Monoisotopic Mass: -1.8
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	144.2
[M+Na]+	209.12605	148.8
[M-H]-	185.12955	142.8
[M+NH4]+	204.17065	160.3
[M+K]+	225.09999	147.8
[M+H-H2O]+	169.13409	137.1
[M+HCOO]-	231.13503	158.9
[M+CH3COO]-	245.15068	181.2
[M+Na-2H]-	207.11150	145.8
[M]+	186.13628	140.3
[M]-	186.13738	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe