CID 18925408

149587-72-4

Structural Information

Molecular Formula

C₁₁H₁₅NO₄S

SMILES

CC(C)(C)OC(=O)NC1=C(SC=C1)C(=O)OC

InChI

InChI=1S/C11H15NO4S/c1-11(2,3)16-10(14)12-7-5-6-17-8(7)9(13)15-4/h5-6H,1-4H3,(H,12,14)

InChIKey

JEMOHNKXRFEUDT-UHFFFAOYSA-N

Compound name

methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 257.07217 Da
Monoisotopic Mass: 2.9
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]+	258.079446	159.3
[M+Na]+	280.061388	166.1
[M-H]-	256.064894	163.3
[M+NH4]+	275.105993	178.4
[M+K]+	296.035328	165.2
[M+H-H2O]+	240.069430	153.7
[M+HCOO]-	302.070371	177.2
[M+CH3COO]-	316.086021	192.9
[M+Na-2H]-	278.046836	159.6
[M]+	257.07162142	164.7
[M]-	257.07271858	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe