CID 44828667

3-{[(tert-butoxy)carbonyl]amino}piperidine-3-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₄

SMILES

CC(C)(C)OC(=O)NC1(CCCNC1)C(=O)O

InChI

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

InChIKey

ZCUAYUYDQUTSDE-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	156.8
[M+Na]+	267.131518	159.9
[M-H]-	243.135024	155.3
[M+NH4]+	262.176123	172.7
[M+K]+	283.105458	159.2
[M+H-H2O]+	227.139560	151.6
[M+HCOO]-	289.140501	170.8
[M+CH3COO]-	303.156151	187.2
[M+Na-2H]-	265.116966	160.4
[M]+	244.14175142	151.9
[M]-	244.14284858	151.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe