CID 118290268

Tert-butyl 4-formyl-4-(methoxymethyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(COC)C=O
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-7-5-13(9-15,6-8-14)10-17-4/h9H,5-8,10H2,1-4H3
InChIKey
VVXPIOARFSYAPT-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-4-(methoxymethyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

257.16272 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 159.9
[M+Na]+ 280.15194 165.2
[M-H]- 256.15544 161.3
[M+NH4]+ 275.19654 177.6
[M+K]+ 296.12588 165.2
[M+H-H2O]+ 240.15998 154.4
[M+HCOO]- 302.16092 176.3
[M+CH3COO]- 316.17657 193.4
[M+Na-2H]- 278.13739 163.7
[M]+ 257.16217 161.4
[M]- 257.16327 161.4
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

patents stripe