CID 40429562

886362-08-9

Structural Information

Molecular Formula
C14H19NO5
SMILES
CC(C)(C)OC(=O)N(C)C1=C(C=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15(4)11-7-6-9(19-5)8-10(11)12(16)17/h6-8H,1-5H3,(H,16,17)
InChIKey
QGBBFXMCDVMXCH-UHFFFAOYSA-N
Compound name
5-methoxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1263 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13358 163.0
[M+Na]+ 304.11552 171.8
[M+NH4]+ 299.16012 167.8
[M+K]+ 320.08946 169.6
[M-H]- 280.11902 162.2
[M+Na-2H]- 302.10097 166.1
[M]+ 281.12575 163.7
[M]- 281.12685 163.7
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.