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]+ 282.133576 162.1
[M+Na]+ 304.115518 168.4
[M-H]- 280.119024 166.1
[M+NH4]+ 299.160123 178.0
[M+K]+ 320.089458 169.1
[M+H-H2O]+ 264.123560 155.9
[M+HCOO]- 326.124501 183.0
[M+CH3COO]- 340.140151 203.3
[M+Na-2H]- 302.100966 164.2
[M]+ 281.12575142 167.1
[M]- 281.12684858 167.1
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.