CID 105503079

1781376-39-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 155.6
[M+Na]+ 264.15702 162.0
[M-H]- 240.16052 157.5
[M+NH4]+ 259.20162 174.4
[M+K]+ 280.13096 161.5
[M+H-H2O]+ 224.16506 150.7
[M+HCOO]- 286.16600 171.8
[M+CH3COO]- 300.18165 192.5
[M+Na-2H]- 262.14247 158.7
[M]+ 241.16725 156.1
[M]- 241.16835 156.1
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.