CID 165639299

2229266-44-6

Structural Information

Molecular Formula
C15H27NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2(CCC2)CO
InChI
InChI=1S/C15H27NO3/c1-14(2,3)19-13(18)16-9-5-12(6-10-16)15(11-17)7-4-8-15/h12,17H,4-11H2,1-3H3
InChIKey
LZMBMANVYRAYTJ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[1-(hydroxymethyl)cyclobutyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1991 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.20638 167.0
[M+Na]+ 292.18832 168.9
[M-H]- 268.19182 169.5
[M+NH4]+ 287.23292 176.8
[M+K]+ 308.16226 170.6
[M+H-H2O]+ 252.19636 156.0
[M+HCOO]- 314.19730 179.1
[M+CH3COO]- 328.21295 196.9
[M+Na-2H]- 290.17377 168.3
[M]+ 269.19855 172.2
[M]- 269.19965 172.2
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.