CID 2757240

Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC

InChI

InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)14-7-5-9(6-8-14)10(15)13-4/h9H,5-8H2,1-4H3,(H,13,15)

InChIKey

WPKSHDLVXHJHKV-UHFFFAOYSA-N

Compound name

tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 242.16304 Da
Monoisotopic Mass: 0.9
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]+	243.170316	157.9
[M+Na]+	265.152258	161.7
[M-H]-	241.155764	159.2
[M+NH4]+	260.196863	173.8
[M+K]+	281.126198	161.5
[M+H-H2O]+	225.160300	151.4
[M+HCOO]-	287.161241	174.4
[M+CH3COO]-	301.176891	194.0
[M+Na-2H]-	263.137706	159.8
[M]+	242.16249142	155.7
[M]-	242.16358858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe