CID 131520357

Tert-butyl 2-formyl-5,5-dimethylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC1(CCC(N(C1)C(=O)OC(C)(C)C)C=O)C
InChI
InChI=1S/C13H23NO3/c1-12(2,3)17-11(16)14-9-13(4,5)7-6-10(14)8-15/h8,10H,6-7,9H2,1-5H3
InChIKey
XRUPEDVKHIJTTG-UHFFFAOYSA-N
Compound name
tert-butyl 2-formyl-5,5-dimethylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 157.4
[M+Na]+ 264.15702 166.5
[M+NH4]+ 259.20162 164.9
[M+K]+ 280.13096 160.6
[M-H]- 240.16052 156.5
[M+Na-2H]- 262.14247 161.3
[M]+ 241.16725 158.4
[M]- 241.16835 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.