CID 648128

Methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)NC(=O)N1CCC(CC1)C(=O)OC
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)13-11(16)14-7-5-9(6-8-14)10(15)17-4/h9H,5-8H2,1-4H3,(H,13,16)
InChIKey
YNDIZCMKDPECRX-UHFFFAOYSA-N
Compound name
methyl 1-(tert-butylcarbamoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.