CID 58752684

635702-63-5

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC(C)(C1=CC=C(C=C1)N)S(=O)(=O)C
InChI
InChI=1S/C10H15NO2S/c1-10(2,14(3,12)13)8-4-6-9(11)7-5-8/h4-7H,11H2,1-3H3
InChIKey
IJTJVQWJNYIIFV-UHFFFAOYSA-N
Compound name
4-(2-methylsulfonylpropan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

213.08235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.089626 145.6
[M+Na]+ 236.071568 153.8
[M-H]- 212.075074 149.2
[M+NH4]+ 231.116173 164.5
[M+K]+ 252.045508 150.7
[M+H-H2O]+ 196.079610 140.2
[M+HCOO]- 258.080551 162.5
[M+CH3COO]- 272.096201 186.6
[M+Na-2H]- 234.057016 150.2
[M]+ 213.08180142 147.0
[M]- 213.08289858 147.0
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