CID 58017246

Tert-butyl 4-formyl-4-propylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C14H25NO3
SMILES
CCCC1(CCN(CC1)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C14H25NO3/c1-5-6-14(11-16)7-9-15(10-8-14)12(17)18-13(2,3)4/h11H,5-10H2,1-4H3
InChIKey
WBXKEXVOPZJMPT-UHFFFAOYSA-N
Compound name
tert-butyl 4-formyl-4-propylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

255.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 161.5
[M+Na]+ 278.17266 166.5
[M-H]- 254.17616 162.9
[M+NH4]+ 273.21726 179.4
[M+K]+ 294.14660 165.7
[M+H-H2O]+ 238.18070 156.0
[M+HCOO]- 300.18164 177.4
[M+CH3COO]- 314.19729 194.3
[M+Na-2H]- 276.15811 164.7
[M]+ 255.18289 162.0
[M]- 255.18399 162.0
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