CID 29920832

2913226-48-7

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CN1CCNC[C@H]1C(=O)OC

InChI

InChI=1S/C7H14N2O2/c1-9-4-3-8-5-6(9)7(10)11-2/h6,8H,3-5H2,1-2H3/t6-/m0/s1

InChIKey

XJZSEVGWLANZJK-LURJTMIESA-N

Compound name

methyl (2S)-1-methylpiperazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 158.10553 Da
Monoisotopic Mass: -0.4
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]+	159.11281	135.6
[M+Na]+	181.09475	141.3
[M-H]-	157.09825	134.4
[M+NH4]+	176.13935	153.0
[M+K]+	197.06869	140.4
[M+H-H2O]+	141.10279	128.8
[M+HCOO]-	203.10373	151.9
[M+CH3COO]-	217.11938	173.6
[M+Na-2H]-	179.08020	139.3
[M]+	158.10498	131.4
[M]-	158.10608	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe