CID 89785147

2413867-70-4

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)NC(C1=CC=CC=C1O)C(=O)OC
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(17)19-4)9-7-5-6-8-10(9)16/h5-8,11,16H,1-4H3,(H,15,18)
InChIKey
JITXCZYPHZVRAJ-UHFFFAOYSA-N
Compound name
methyl 2-(2-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.1263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.133576 163.9
[M+Na]+ 304.115518 168.9
[M-H]- 280.119024 166.1
[M+NH4]+ 299.160123 178.8
[M+K]+ 320.089458 168.7
[M+H-H2O]+ 264.123560 157.7
[M+HCOO]- 326.124501 183.3
[M+CH3COO]- 340.140151 198.9
[M+Na-2H]- 302.100966 166.1
[M]+ 281.12575142 166.5
[M]- 281.12684858 166.5
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

patents stripe