CID 1901216

2-(((2-(sulfooxy)ethyl)imino)methyl)phenol monosodium salt

Structural Information

Molecular Formula
C9H11NO5S
SMILES
C1=CC=C(C(=C1)C=NCCOS(=O)(=O)O)O
InChI
InChI=1S/C9H11NO5S/c11-9-4-2-1-3-8(9)7-10-5-6-15-16(12,13)14/h1-4,7,11H,5-6H2,(H,12,13,14)
InChIKey
NMSKIWZUIXIELR-UHFFFAOYSA-N
Compound name
2-[(2-hydroxyphenyl)methylideneamino]ethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.0358 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.043076 149.4
[M+Na]+ 268.025018 156.9
[M-H]- 244.028524 151.8
[M+NH4]+ 263.069623 166.0
[M+K]+ 283.998958 154.0
[M+H-H2O]+ 228.033060 143.2
[M+HCOO]- 290.034001 168.1
[M+CH3COO]- 304.049651 186.2
[M+Na-2H]- 266.010466 154.7
[M]+ 245.03525142 153.5
[M]- 245.03634858 153.5
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.