CID 59441749

5-(methanesulfonylmethyl)-2-methoxyaniline hydrochloride

Structural Information

Molecular Formula
C9H13NO3S
SMILES
COC1=C(C=C(C=C1)CS(=O)(=O)C)N
InChI
InChI=1S/C9H13NO3S/c1-13-9-4-3-7(5-8(9)10)6-14(2,11)12/h3-5H,6,10H2,1-2H3
InChIKey
IRKPJECEZMJZCT-UHFFFAOYSA-N
Compound name
2-methoxy-5-(methylsulfonylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

215.06161 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 145.8
[M+Na]+ 238.05083 156.6
[M+NH4]+ 233.09543 153.1
[M+K]+ 254.02477 150.0
[M-H]- 214.05433 146.8
[M+Na-2H]- 236.03628 150.7
[M]+ 215.06106 148.0
[M]- 215.06216 148.0
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