CID 22507584

1-boc-piperazine-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCNCC1C(=O)O

InChI

InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-5-4-11-6-7(12)8(13)14/h7,11H,4-6H2,1-3H3,(H,13,14)

InChIKey

MPOFEHGMWPHBSF-UHFFFAOYSA-N

Compound name

1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 252
Patents: 230.12666 Da
Monoisotopic Mass: -2.2
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]+	231.133936	153.5
[M+Na]+	253.115878	158.0
[M-H]-	229.119384	151.0
[M+NH4]+	248.160483	167.3
[M+K]+	269.089818	157.0
[M+H-H2O]+	213.123920	147.2
[M+HCOO]-	275.124861	165.5
[M+CH3COO]-	289.140511	183.6
[M+Na-2H]-	251.101326	155.2
[M]+	230.12611142	149.6
[M]-	230.12720858	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe