CID 201337

M-toluidine, alpha-(methylsulfonyl)-4-propoxy-

Structural Information

Molecular Formula
C11H17NO3S
SMILES
CCCOC1=C(C=C(C=C1)N)CS(=O)(=O)C
InChI
InChI=1S/C11H17NO3S/c1-3-6-15-11-5-4-10(12)7-9(11)8-16(2,13)14/h4-5,7H,3,6,8,12H2,1-2H3
InChIKey
IFAYAKWWDXSOMX-UHFFFAOYSA-N
Compound name
3-(methylsulfonylmethyl)-4-propoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.09291 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10019 154.5
[M+Na]+ 266.08213 164.8
[M+NH4]+ 261.12673 161.4
[M+K]+ 282.05607 157.8
[M-H]- 242.08563 155.4
[M+Na-2H]- 264.06758 158.8
[M]+ 243.09236 156.5
[M]- 243.09346 156.5
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.