CID 4961762

1170254-65-5

Structural Information

Molecular Formula
C12H17NO3S
SMILES
COC1=CC=C(C=C1)CNC2CCS(=O)(=O)C2
InChI
InChI=1S/C12H17NO3S/c1-16-12-4-2-10(3-5-12)8-13-11-6-7-17(14,15)9-11/h2-5,11,13H,6-9H2,1H3
InChIKey
ZCTMYCMIAGDAIV-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.09291 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10019 155.9
[M+Na]+ 278.08213 165.9
[M+NH4]+ 273.12673 165.3
[M+K]+ 294.05607 157.7
[M-H]- 254.08563 159.0
[M+Na-2H]- 276.06758 163.0
[M]+ 255.09236 158.6
[M]- 255.09346 158.6
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

No patent data available for this compound.