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

4
Patents

270.19434 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.201616 166.7
[M+Na]+ 293.183558 168.9
[M-H]- 269.187064 167.9
[M+NH4]+ 288.228163 173.3
[M+K]+ 309.157498 170.6
[M+H-H2O]+ 253.191600 153.8
[M+HCOO]- 315.192541 177.7
[M+CH3COO]- 329.208191 198.3
[M+Na-2H]- 291.169006 166.6
[M]+ 270.19379142 172.0
[M]- 270.19488858 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