CID 15343158

196192-08-2

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

COC(=O)CN1CCNCC1

InChI

InChI=1S/C7H14N2O2/c1-11-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3

InChIKey

UHHVABRWHRKEPJ-UHFFFAOYSA-N

Compound name

methyl 2-piperazin-1-ylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 255
Patents: 158.10553 Da
Monoisotopic Mass: -0.5
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	135.8
[M+Na]+	181.09475	140.6
[M-H]-	157.09825	134.3
[M+NH4]+	176.13935	152.9
[M+K]+	197.06869	139.7
[M+H-H2O]+	141.10279	128.7
[M+HCOO]-	203.10373	152.2
[M+CH3COO]-	217.11938	172.5
[M+Na-2H]-	179.08020	140.3
[M]+	158.10498	131.3
[M]-	158.10608	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe