CID 3118310

(1,1-dioxo-tetrahydro-thiophen-3-yl)-(4-methoxy-benzylidene)-amine

Structural Information

Molecular Formula

C₁₂H₁₅NO₃S

SMILES

COC1=CC=C(C=C1)C=NC2CCS(=O)(=O)C2

InChI

InChI=1S/C12H15NO3S/c1-16-12-4-2-10(3-5-12)8-13-11-6-7-17(14,15)9-11/h2-5,8,11H,6-7,9H2,1H3

InChIKey

PFBNFRWMQUSYFB-UHFFFAOYSA-N

Compound name

N-(1,1-dioxothiolan-3-yl)-1-(4-methoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.07727 Da
Monoisotopic Mass: 1.0
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]+	254.084546	153.5
[M+Na]+	276.066488	162.2
[M-H]-	252.069994	162.0
[M+NH4]+	271.111093	175.4
[M+K]+	292.040428	159.3
[M+H-H2O]+	236.074530	147.6
[M+HCOO]-	298.075471	175.1
[M+CH3COO]-	312.091121	192.7
[M+Na-2H]-	274.051936	156.4
[M]+	253.07672142	156.7
[M]-	253.07781858	156.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe