CID 132398533

2171901-41-8

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CC(C)(C)OC1=NC(=CC=C1)S(=O)O
InChI
InChI=1S/C9H13NO3S/c1-9(2,3)13-7-5-4-6-8(10-7)14(11)12/h4-6H,1-3H3,(H,11,12)
InChIKey
LLNKJXBAKJTHKM-UHFFFAOYSA-N
Compound name
6-[(2-methylpropan-2-yl)oxy]pyridine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.06161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 145.1
[M+Na]+ 238.05083 153.3
[M-H]- 214.05433 146.6
[M+NH4]+ 233.09543 162.5
[M+K]+ 254.02477 151.2
[M+H-H2O]+ 198.05887 139.2
[M+HCOO]- 260.05981 159.9
[M+CH3COO]- 274.07546 182.1
[M+Na-2H]- 236.03628 148.5
[M]+ 215.06106 148.5
[M]- 215.06216 148.5
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.