CID 77230394

153903-13-0

Structural Information

Molecular Formula

C₁₄H₁₉NO₅

SMILES

CC(C)(C)OC(=O)NCC1=CC(=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-8-9-5-6-11(19-4)10(7-9)12(16)17/h5-7H,8H2,1-4H3,(H,15,18)(H,16,17)

InChIKey

MWJZAOAKNWVPSI-UHFFFAOYSA-N

Compound name

2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.1263 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.133576	163.4
[M+Na]+	304.115518	169.5
[M-H]-	280.119024	165.9
[M+NH4]+	299.160123	178.6
[M+K]+	320.089458	168.8
[M+H-H2O]+	264.123560	157.2
[M+HCOO]-	326.124501	183.8
[M+CH3COO]-	340.140151	200.0
[M+Na-2H]-	302.100966	166.1
[M]+	281.12575142	167.1
[M]-	281.12684858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.