CID 61001258

Methyl 2-methyl-2-(piperazin-1-yl)propanoate

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(C(=O)OC)N1CCNCC1

InChI

InChI=1S/C9H18N2O2/c1-9(2,8(12)13-3)11-6-4-10-5-7-11/h10H,4-7H2,1-3H3

InChIKey

WEDJDAUUIPGYIO-UHFFFAOYSA-N

Compound name

methyl 2-methyl-2-piperazin-1-ylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 186.13683 Da
Monoisotopic Mass: 0.1
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	144.8
[M+Na]+	209.12605	149.2
[M-H]-	185.12955	143.3
[M+NH4]+	204.17065	160.9
[M+K]+	225.09999	148.2
[M+H-H2O]+	169.13409	138.1
[M+HCOO]-	231.13503	158.9
[M+CH3COO]-	245.15068	178.8
[M+Na-2H]-	207.11150	149.0
[M]+	186.13628	140.6
[M]-	186.13738	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe