CID 2735642

2-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}acetic acid

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)O

InChI

InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15)

InChIKey

WZBHMXRBXXCEDD-UHFFFAOYSA-N

Compound name

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 563
Patents: 244.1423 Da
Monoisotopic Mass: -1.8
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	157.1
[M+Na]+	267.131518	161.6
[M-H]-	243.135024	155.8
[M+NH4]+	262.176123	171.1
[M+K]+	283.105458	161.2
[M+H-H2O]+	227.139560	150.3
[M+HCOO]-	289.140501	170.3
[M+CH3COO]-	303.156151	189.0
[M+Na-2H]-	265.116966	158.8
[M]+	244.14175142	155.5
[M]-	244.14284858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe