CID 132364929

2155855-31-3

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(C#N)C(=O)O

InChI

InChI=1S/C13H20N2O4/c1-13(2,3)19-12(18)15-6-4-9(5-7-15)10(8-14)11(16)17/h9-10H,4-7H2,1-3H3,(H,16,17)

InChIKey

VSMBJUMSYNIAEI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.1423 Da
Monoisotopic Mass: 1.3
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]+	269.149576	162.1
[M+Na]+	291.131518	167.5
[M-H]-	267.135024	162.0
[M+NH4]+	286.176123	174.8
[M+K]+	307.105458	166.6
[M+H-H2O]+	251.139560	149.5
[M+HCOO]-	313.140501	172.5
[M+CH3COO]-	327.156151	205.3
[M+Na-2H]-	289.116966	161.8
[M]+	268.14175142	155.1
[M]-	268.14284858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe