CID 91583013

Methyl 2-methylpiperazine-2-carboxylate dihydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

CC1(CNCCN1)C(=O)OC

InChI

InChI=1S/C7H14N2O2/c1-7(6(10)11-2)5-8-3-4-9-7/h8-9H,3-5H2,1-2H3

InChIKey

MFBDMOYVDFZBTF-UHFFFAOYSA-N

Compound name

methyl 2-methylpiperazine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.10553 Da
Monoisotopic Mass: -0.7
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]+	159.112806	136.4
[M+Na]+	181.094748	141.7
[M-H]-	157.098254	133.9
[M+NH4]+	176.139353	154.8
[M+K]+	197.068688	140.2
[M+H-H2O]+	141.102790	130.5
[M+HCOO]-	203.103731	151.3
[M+CH3COO]-	217.119381	169.5
[M+Na-2H]-	179.080196	141.5
[M]+	158.10498142	130.3
[M]-	158.10607858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe