CID 11064226

374067-96-6

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CC(C)(CO)C1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C10H15NO3S/c1-10(2,7-12)8-3-5-9(6-4-8)15(11,13)14/h3-6,12H,7H2,1-2H3,(H2,11,13,14)
InChIKey
SOOTXJBKDRWYBZ-UHFFFAOYSA-N
Compound name
4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

229.07727 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08455 149.4
[M+Na]+ 252.06649 156.9
[M-H]- 228.06999 151.4
[M+NH4]+ 247.11109 166.7
[M+K]+ 268.04043 153.4
[M+H-H2O]+ 212.07453 144.0
[M+HCOO]- 274.07547 164.9
[M+CH3COO]- 288.09112 186.3
[M+Na-2H]- 250.05194 153.7
[M]+ 229.07672 150.2
[M]- 229.07782 150.2
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