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]+ 244.10019 152.7
[M+Na]+ 266.08213 160.8
[M-H]- 242.08563 156.2
[M+NH4]+ 261.12673 170.6
[M+K]+ 282.05607 157.6
[M+H-H2O]+ 226.09017 146.6
[M+HCOO]- 288.09111 171.0
[M+CH3COO]- 302.10676 192.5
[M+Na-2H]- 264.06758 155.4
[M]+ 243.09236 156.8
[M]- 243.09346 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.