CID 82275245

En300-28229310

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)N1C(COC2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(19)16-10(8-13(17)18)9-20-12-7-5-4-6-11(12)16/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKey
RWEXVSSPPAITRB-UHFFFAOYSA-N
Compound name
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]acetic 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]+ 294.13358 166.4
[M+Na]+ 316.11552 172.3
[M-H]- 292.11902 168.4
[M+NH4]+ 311.16012 179.5
[M+K]+ 332.08946 171.9
[M+H-H2O]+ 276.12356 159.7
[M+HCOO]- 338.12450 180.1
[M+CH3COO]- 352.14015 199.1
[M+Na-2H]- 314.10097 170.6
[M]+ 293.12575 168.3
[M]- 293.12685 168.3
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.