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]+ 294.133576 168.1
[M+Na]+ 316.115518 171.3
[M-H]- 292.119024 173.6
[M+NH4]+ 311.160123 176.2
[M+K]+ 332.089458 175.0
[M+H-H2O]+ 276.123560 156.6
[M+HCOO]- 338.124501 185.0
[M+CH3COO]- 352.140151 202.5
[M+Na-2H]- 314.100966 172.3
[M]+ 293.12575142 178.1
[M]- 293.12684858 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.