CID 201337

5819-62-5

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]+ 244.100186 152.7
[M+Na]+ 266.082128 160.8
[M-H]- 242.085634 156.2
[M+NH4]+ 261.126733 170.6
[M+K]+ 282.056068 157.6
[M+H-H2O]+ 226.090170 146.6
[M+HCOO]- 288.091111 171.0
[M+CH3COO]- 302.106761 192.5
[M+Na-2H]- 264.067576 155.4
[M]+ 243.09236142 156.8
[M]- 243.09345858 156.8
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.