CID 122235284

1823271-90-4

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)NC1(COC1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H19NO5/c1-14(2,3)21-13(19)16-15(8-20-9-15)11-6-4-10(5-7-11)12(17)18/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
FNYIUOTXZQZRIX-UHFFFAOYSA-N
Compound name
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 168.1
[M+Na]+ 316.11552 171.3
[M-H]- 292.11902 173.6
[M+NH4]+ 311.16012 176.2
[M+K]+ 332.08946 175.0
[M+H-H2O]+ 276.12356 156.6
[M+HCOO]- 338.12450 185.0
[M+CH3COO]- 352.14015 202.5
[M+Na-2H]- 314.10097 172.3
[M]+ 293.12575 178.1
[M]- 293.12685 178.1
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.