CID 77655433

2167374-58-3

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₄

SMILES

CC1(CNCCN1C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)13-6-5-12-7-11(13,4)8(14)15/h12H,5-7H2,1-4H3,(H,14,15)

InChIKey

DRLINDRBXFCYMP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 244.1423 Da
Monoisotopic Mass: -2.0
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]+	245.149576	156.9
[M+Na]+	267.131518	161.9
[M-H]-	243.135024	154.5
[M+NH4]+	262.176123	172.2
[M+K]+	283.105458	161.1
[M+H-H2O]+	227.139560	151.6
[M+HCOO]-	289.140501	168.6
[M+CH3COO]-	303.156151	186.1
[M+Na-2H]-	265.116966	159.6
[M]+	244.14175142	153.8
[M]-	244.14284858	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe