CID 11830845

O-(2,4,6-trimethylbenzenesulfonyl)hydroxylamine

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)ON)C
InChI
InChI=1S/C9H13NO3S/c1-6-4-7(2)9(8(3)5-6)14(11,12)13-10/h4-5H,10H2,1-3H3
InChIKey
CHKQALUEEULCPZ-UHFFFAOYSA-N
Compound name
amino 2,4,6-trimethylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3480
Patents

215.06161 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 143.1
[M+Na]+ 238.05083 153.0
[M-H]- 214.05433 147.4
[M+NH4]+ 233.09543 162.4
[M+K]+ 254.02477 150.2
[M+H-H2O]+ 198.05887 137.7
[M+HCOO]- 260.05981 162.0
[M+CH3COO]- 274.07546 187.7
[M+Na-2H]- 236.03628 146.2
[M]+ 215.06106 146.9
[M]- 215.06216 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe