CID 6453585

58226-19-0

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CN1CCN(CC1)C(=O)O

InChI

InChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)

InChIKey

KNWWGBNAUNTSRV-UHFFFAOYSA-N

Compound name

4-methylpiperazine-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1393
Patents: 144.08987 Da
Monoisotopic Mass: -2.7
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	131.0
[M+Na]+	167.079088	137.2
[M-H]-	143.082594	130.1
[M+NH4]+	162.123693	149.0
[M+K]+	183.053028	136.6
[M+H-H2O]+	127.087130	124.4
[M+HCOO]-	189.088071	147.7
[M+CH3COO]-	203.103721	170.6
[M+Na-2H]-	165.064536	135.4
[M]+	144.08932142	126.6
[M]-	144.09041858	126.6

Literature stripe

literature stripe

Patent stripe

patents stripe