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]+ 243.17032 157.9
[M+Na]+ 265.15226 161.7
[M-H]- 241.15576 159.2
[M+NH4]+ 260.19686 173.8
[M+K]+ 281.12620 161.5
[M+H-H2O]+ 225.16030 151.4
[M+HCOO]- 287.16124 174.4
[M+CH3COO]- 301.17689 194.0
[M+Na-2H]- 263.13771 159.8
[M]+ 242.16249 155.7
[M]- 242.16359 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.