CID 145874751

2289955-86-6

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)OC2=CC=CC=C2
InChI
InChI=1S/C15H19NO5/c1-14(2,3)21-13(19)16-9-15(10-16,12(17)18)20-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKey
FLJICFJVUXIOSM-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenoxyazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 168.4
[M+Na]+ 316.115518 172.6
[M-H]- 292.119024 172.0
[M+NH4]+ 311.160123 176.9
[M+K]+ 332.089458 175.0
[M+H-H2O]+ 276.123560 156.7
[M+HCOO]- 338.124501 184.1
[M+CH3COO]- 352.140151 199.9
[M+Na-2H]- 314.100966 171.4
[M]+ 293.12575142 179.1
[M]- 293.12684858 179.1
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.