CID 2777562

465514-23-2

Structural Information

Molecular Formula

C₁₀H₇NO₄S

SMILES

COC(=O)C1=C(C=CS1)N2C(=O)C=CC2=O

InChI

InChI=1S/C10H7NO4S/c1-15-10(14)9-6(4-5-16-9)11-7(12)2-3-8(11)13/h2-5H,1H3

InChIKey

HPNPTFJOBHCYCJ-UHFFFAOYSA-N

Compound name

methyl 3-(2,5-dioxopyrrol-1-yl)thiophene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 237.00958 Da
Monoisotopic Mass: 0.9
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]+	238.01686	150.0
[M+Na]+	259.99880	160.6
[M-H]-	236.00230	157.1
[M+NH4]+	255.04340	170.8
[M+K]+	275.97274	158.6
[M+H-H2O]+	220.00684	144.6
[M+HCOO]-	282.00778	169.9
[M+CH3COO]-	296.02343	186.3
[M+Na-2H]-	257.98425	148.2
[M]+	237.00903	155.1
[M]-	237.01013	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe