CID 3080321

1,3-benzenediol, 6-((2-((methylamino)methyl)phenyl)thio)-, hydrobromide

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CNCC1=CC=CC=C1SC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C14H15NO2S/c1-15-9-10-4-2-3-5-13(10)18-14-7-6-11(16)8-12(14)17/h2-8,15-17H,9H2,1H3
InChIKey
MTNWRIVVDLJLCW-UHFFFAOYSA-N
Compound name
4-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.08234 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 157.4
[M+Na]+ 284.07156 170.6
[M+NH4]+ 279.11616 166.0
[M+K]+ 300.04550 161.5
[M-H]- 260.07506 162.1
[M+Na-2H]- 282.05701 165.4
[M]+ 261.08179 161.1
[M]- 261.08289 161.1
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.