CID 122243104

Tert-butyl 4-cyclobutylidenepiperidine-1-carboxylate

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC(C)(C)OC(=O)N1CCC(=C2CCC2)CC1
InChI
InChI=1S/C14H23NO2/c1-14(2,3)17-13(16)15-9-7-12(8-10-15)11-5-4-6-11/h4-10H2,1-3H3
InChIKey
KLNGOUPOOOOUGE-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyclobutylidenepiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.17288 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 156.0
[M+Na]+ 260.16210 158.4
[M-H]- 236.16560 159.8
[M+NH4]+ 255.20670 165.8
[M+K]+ 276.13604 159.9
[M+H-H2O]+ 220.17014 144.1
[M+HCOO]- 282.17108 169.9
[M+CH3COO]- 296.18673 193.4
[M+Na-2H]- 258.14755 157.2
[M]+ 237.17233 160.2
[M]- 237.17343 160.2
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

patents stripe