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

1
Patents

253.07727 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08455 153.5
[M+Na]+ 276.06649 162.2
[M-H]- 252.06999 162.0
[M+NH4]+ 271.11109 175.4
[M+K]+ 292.04043 159.3
[M+H-H2O]+ 236.07453 147.6
[M+HCOO]- 298.07547 175.1
[M+CH3COO]- 312.09112 192.7
[M+Na-2H]- 274.05194 156.4
[M]+ 253.07672 156.7
[M]- 253.07782 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe