CID 155859102

1824017-45-9

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2CC(C2)CO
InChI
InChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-6-4-12(5-7-17)8-16-9-13(10-16)11-18/h12-13,18H,4-11H2,1-3H3
InChIKey
YOOKPTXPIGNMFL-UHFFFAOYSA-N
Compound name
tert-butyl 4-[[3-(hydroxymethyl)azetidin-1-yl]methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.21 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.217276 171.2
[M+Na]+ 307.199218 172.9
[M-H]- 283.202724 172.2
[M+NH4]+ 302.243823 177.2
[M+K]+ 323.173158 174.4
[M+H-H2O]+ 267.207260 158.1
[M+HCOO]- 329.208201 181.8
[M+CH3COO]- 343.223851 201.2
[M+Na-2H]- 305.184666 170.6
[M]+ 284.20945142 176.8
[M]- 284.21054858 176.8
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.