CID 2760426

122323-88-0

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

COC(=O)C1CNCCN1

InChI

InChI=1S/C6H12N2O2/c1-10-6(9)5-4-7-2-3-8-5/h5,7-8H,2-4H2,1H3

InChIKey

ODQZNBWVRPKMKN-UHFFFAOYSA-N

Compound name

methyl piperazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 492
Patents: 144.08987 Da
Monoisotopic Mass: -0.9
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]+	145.097146	132.2
[M+Na]+	167.079088	137.0
[M-H]-	143.082594	129.4
[M+NH4]+	162.123693	149.1
[M+K]+	183.053028	135.4
[M+H-H2O]+	127.087130	125.5
[M+HCOO]-	189.088071	147.4
[M+CH3COO]-	203.103721	166.9
[M+Na-2H]-	165.064536	136.7
[M]+	144.08932142	125.4
[M]-	144.09041858	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe