CID 22099255

5-({[(tert-butoxy)carbonyl]amino}methyl)furan-2-carboxylic acid

Structural Information

Molecular Formula

C₁₁H₁₅NO₅

SMILES

CC(C)(C)OC(=O)NCC1=CC=C(O1)C(=O)O

InChI

InChI=1S/C11H15NO5/c1-11(2,3)17-10(15)12-6-7-4-5-8(16-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

UOXKOXPQCRDDHV-UHFFFAOYSA-N

Compound name

5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]furan-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 241.09502 Da
Monoisotopic Mass: 1.4
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]+	242.102296	153.1
[M+Na]+	264.084238	159.4
[M-H]-	240.087744	156.3
[M+NH4]+	259.128843	170.2
[M+K]+	280.058178	160.1
[M+H-H2O]+	224.092280	147.8
[M+HCOO]-	286.093221	174.2
[M+CH3COO]-	300.108871	189.7
[M+Na-2H]-	262.069686	156.9
[M]+	241.09447142	156.5
[M]-	241.09556858	156.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe