CID 2726930

Maybridge1_006225

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₄S

SMILES

CC(C)(C)C(=O)OCC(=NOC(=O)C1=CC=CS1)N

InChI

InChI=1S/C12H16N2O4S/c1-12(2,3)11(16)17-7-9(13)14-18-10(15)8-5-4-6-19-8/h4-6H,7H2,1-3H3,(H2,13,14)

InChIKey

OOFSGMYIBPHQKX-UHFFFAOYSA-N

Compound name

[[1-amino-2-(2,2-dimethylpropanoyloxy)ethylidene]amino] thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 284.08307 Da
Monoisotopic Mass: 2.5
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]+	285.090346	167.4
[M+Na]+	307.072288	172.2
[M-H]-	283.075794	171.6
[M+NH4]+	302.116893	184.8
[M+K]+	323.046228	171.6
[M+H-H2O]+	267.080330	160.6
[M+HCOO]-	329.081271	185.9
[M+CH3COO]-	343.096921	201.6
[M+Na-2H]-	305.057736	166.8
[M]+	284.08252142	171.4
[M]-	284.08361858	171.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.