CID 165591017

1-[(tert-butoxy)carbonyl]-3-(1-hydroxycyclobutyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H21NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)C2(CCC2)O
InChI
InChI=1S/C13H21NO5/c1-11(2,3)19-10(17)14-7-12(8-14,9(15)16)13(18)5-4-6-13/h18H,4-8H2,1-3H3,(H,15,16)
InChIKey
CEKVPCSNASTLHC-UHFFFAOYSA-N
Compound name
3-(1-hydroxycyclobutyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 165.7
[M+Na]+ 294.131188 167.4
[M-H]- 270.134694 167.7
[M+NH4]+ 289.175793 169.6
[M+K]+ 310.105128 172.6
[M+H-H2O]+ 254.139230 153.1
[M+HCOO]- 316.140171 176.4
[M+CH3COO]- 330.155821 202.2
[M+Na-2H]- 292.116636 167.0
[M]+ 271.14142142 181.3
[M]- 271.14251858 181.3
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.