CID 156595337

1-azetidinecarboxylic acid, 3-[4-(hydroxymethyl)-1-piperidinyl]-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C14H26N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CCC(CC2)CO
InChI
InChI=1S/C14H26N2O3/c1-14(2,3)19-13(18)16-8-12(9-16)15-6-4-11(10-17)5-7-15/h11-12,17H,4-10H2,1-3H3
InChIKey
JQRBFVAPKGKMSX-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(hydroxymethyl)piperidin-1-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.19434 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.20162 166.7
[M+Na]+ 293.18356 168.9
[M-H]- 269.18706 167.9
[M+NH4]+ 288.22816 173.3
[M+K]+ 309.15750 170.6
[M+H-H2O]+ 253.19160 153.8
[M+HCOO]- 315.19254 177.7
[M+CH3COO]- 329.20819 198.3
[M+Na-2H]- 291.16901 166.6
[M]+ 270.19379 172.0
[M]- 270.19489 172.0
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